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Sample records for 2d hubbard model

  1. Bond Order Correlations in the 2D Hubbard Model

    NASA Astrophysics Data System (ADS)

    Moore, Conrad; Abu Asal, Sameer; Yang, Shuxiang; Moreno, Juana; Jarrell, Mark

    We use the dynamical cluster approximation to study the bond correlations in the Hubbard model with next nearest neighbor (nnn) hopping to explore the region of the phase diagram where the Fermi liquid phase is separated from the pseudogap phase by the Lifshitz line at zero temperature. We implement the Hirsch-Fye cluster solver that has the advantage of providing direct access to the computation of the bond operators via the decoupling field. In the pseudogap phase, the parallel bond order susceptibility is shown to persist at zero temperature while it vanishes for the Fermi liquid phase which allows the shape of the Lifshitz line to be mapped as a function of filling and nnn hopping. Our cluster solver implements NVIDIA's CUDA language to accelerate the linear algebra of the Quantum Monte Carlo to help alleviate the sign problem by allowing for more Monte Carlo updates to be performed in a reasonable amount of computation time. Work supported by the NSF EPSCoR Cooperative Agreement No. EPS-1003897 with additional support from the Louisiana Board of Regents.

  2. Disorder and interaction in 2D: exact diagonalization study of the Anderson-Hubbard-Mott model.

    PubMed

    Kotlyar, R; Das Sarma, S

    2001-03-12

    We investigate, by numerically calculating the charge stiffness, the effects of random diagonal disorder and electron-electron interaction on the nature of the ground state in the 2D Hubbard model through the finite-size exact diagonalization technique. By comparing with the corresponding 1D Hubbard model results and by using heuristic arguments we conclude that it is unlikely that there is a 2D metal-insulator quantum phase transition, although the effect of interaction in some range of parameters is to substantially enhance the noninteracting charge stiffness.

  3. Mott Quantum Criticality in the Anisotropic 2D Hubbard Model

    NASA Astrophysics Data System (ADS)

    Lenz, Benjamin; Manmana, Salvatore R.; Pruschke, Thomas; Assaad, Fakher F.; Raczkowski, Marcin

    2016-02-01

    We present evidence for Mott quantum criticality in an anisotropic two-dimensional system of coupled Hubbard chains at half-filling. In this scenario emerging from variational cluster approximation and cluster dynamical mean-field theory, the interchain hopping t⊥ acts as a control parameter driving the second-order critical end point Tc of the metal-insulator transition down to zero at t⊥c/t ≃0.2 . Below t⊥c, the volume of the hole and electron Fermi pockets of a compensated metal vanishes continuously at the Mott transition. Above t⊥c, the volume reduction of the pockets is cut off by a first-order transition. We discuss the relevance of our findings to a putative quantum critical point in layered organic conductors, whose location remains elusive so far.

  4. Mott Quantum Criticality in the Anisotropic 2D Hubbard Model

    NASA Astrophysics Data System (ADS)

    Lenz, Benjamin; Manmana, Salvatore R.; Pruschke, Thomas; Assaad, Fakher F.; Raczkowski, Marcin

    We present evidence for Mott quantum criticality in an anisotropic two-dimensional system of coupled Hubbard chains at half-filling. In this scenario emerging from variational cluster approximation and cluster dynamical mean-field theory, the interchain hopping t⊥ acts as control parameter driving the second-order critical endpoint Tc of the metal-insulator transition down to zero at t⊥c / t ~= 0 . 2 . Below t⊥c the volume of hole and electron Fermi pockets of a compensated metal vanishes continuously at the Mott transition. Above t⊥c the volume reduction of the pockets is cut off by a first-order transition. We discuss the relevance of our findings to a putative quantum critical point in layered organic conductors whose location remains elusive so far. We acknowledge support by DFG research units FOR1807 and FOR1346, ERC Starting Grant No. 306897 and NSF Grant No. PHY11-25915, and computer support by the GWDG and Jülich Supercomputing Centre.

  5. Observation of spatial charge and spin correlations in the 2D Fermi-Hubbard model.

    PubMed

    Cheuk, Lawrence W; Nichols, Matthew A; Lawrence, Katherine R; Okan, Melih; Zhang, Hao; Khatami, Ehsan; Trivedi, Nandini; Paiva, Thereza; Rigol, Marcos; Zwierlein, Martin W

    2016-09-16

    Strong electron correlations lie at the origin of high-temperature superconductivity. Its essence is believed to be captured by the Fermi-Hubbard model of repulsively interacting fermions on a lattice. Here we report on the site-resolved observation of charge and spin correlations in the two-dimensional (2D) Fermi-Hubbard model realized with ultracold atoms. Antiferromagnetic spin correlations are maximal at half-filling and weaken monotonically upon doping. At large doping, nearest-neighbor correlations between singly charged sites are negative, revealing the formation of a correlation hole, the suppressed probability of finding two fermions near each other. As the doping is reduced, the correlations become positive, signaling strong bunching of doublons and holes, in agreement with numerical calculations. The dynamics of the doublon-hole correlations should play an important role for transport in the Fermi-Hubbard model. Copyright © 2016, American Association for the Advancement of Science.

  6. Spin-spin interaction effect in 2D Extended Hubbard Model

    NASA Astrophysics Data System (ADS)

    Zouhair, A.; Harir, S.; Bennai, M.; Boughaleb, Y.

    2014-09-01

    Using an exact diagonlization for finite square lattice and taking into account the periodic boundary conditions in the two directions, we study the spin-spin interaction effect on some local electronic properties for antiferromagnetic correlated electrons system. We have considered an Extended Hubbard Model (EHM) including on-site coulomb interaction energy U and spin-spin interaction term J. The diagonlization of this 2D EHM model allows us to study J effect on some local properties for finite square lattice. The analysis of the obtained results shows that the introduction of spin-spin interaction induces a supplementary conductivity for antiferromagnetic correlated electrons system, even in the strong on-site interaction regime.

  7. Frustrating a correlated superconductor: the 2D Attractive Hubbard Model in an external magnetic field

    NASA Astrophysics Data System (ADS)

    Zhao, Hongbo; Engelbrecht, Jan R.

    2000-03-01

    At the Mean Field level (G. Murthy and R. Shankar, J. Phys. Condens. Matter, 7) (1995), the frustration due to an external field first makes the uniform BCS ground state unstable to an incommensurate (qne0) superconducting state and then to a spin-polarized Fermi Liquid state. Our interest is how fluctuations modify this picture, as well as the normal state of this system which has a quantum critical point. We use the Fluctuation-Exchange Approximation for the 2D Attractive Hubbard Model, to study this system beyond the Mean-Field level. Earlier work in zero field has shown that this numerical method successfully captures the critical scaling of the KT superconducting transition upon cooling in the normal state. Here we investigate how the pair-breaking external field modifies this picture, and the development of incommensurate pairing.

  8. Stability of superfluid phases in the 2D spin-polarized attractive Hubbard model

    NASA Astrophysics Data System (ADS)

    Kujawa-Cichy, A.; Micnas, R.

    2011-08-01

    We study the evolution from the weak coupling (BCS-like limit) to the strong coupling limit of tightly bound local pairs (LPs) with increasing attraction, in the presence of the Zeeman magnetic field (h) for d=2, within the spin-polarized attractive Hubbard model. The broken symmetry Hartree approximation as well as the strong coupling expansion are used. We also apply the Kosterlitz-Thouless (KT) scenario to determine the phase coherence temperatures. For spin-independent hopping integrals (t↑=t↓), we find no stable homogeneous polarized superfluid (SCM) state in the ground state for the strong attraction and obtain that for a two-component Fermi system on a 2D lattice with population imbalance, phase separation (PS) is favoured for a fixed particle concentration, even on the LP (BEC) side. We also examine the influence of spin-dependent hopping integrals (mass imbalance) on the stability of the SCM phase. We find a topological quantum phase transition (Lifshitz type) from the unpolarized superfluid phase (SC0) to SCM and tricritical points in the h-|U| and t↑/t↓-|U| ground-state phase diagrams. We also construct the finite temperature phase diagrams for both t↑=t↓ and t↑≠t↓ and analyze the possibility of occurrence of a spin-polarized KT superfluid.

  9. A Study of the Effects of Disorder in the 2D Hubbard Model

    SciTech Connect

    Enjalran, M.; Hebert, F.; Scalettar, R.; Zhang, S.; Batrouni, G.

    2000-06-05

    We study the effects of disorder on long range antiferromagnetic correlations and the Mott gap in the half-filled, two dimensional, repulsive Hubbard model. We employ Hartree-Fock (HF) and Quantum Monte Carlo (QMC) techniques in our study of the bond and site disordered models. Results from mean field (HF) calculations are used to develop a qualitative picture of the physics and to guide our choice for input to the QMC methods. The basic properties of two QMC methods for correlated fermions are discussed, and the results from these different approaches are presented.

  10. Hubbard Model study of Off Diagonally Confined fermions in a 2D Optical Lattice

    NASA Astrophysics Data System (ADS)

    Cone, Dave; Chiesa, Simone; Scalettar, Richard; Batrouni, George

    2010-03-01

    We report Quantum Monte Carlo simulations of a Hubbard Hamiltonian which incorporates a proposed new method for confining atoms in an optical lattice employing an inhomogeneous array of hopping matrix elements which trap atoms by going to zero at the lattice edges. This has been termed ``Off Diagonal Confinement (ODC)'' [1] to distinguish it from the more conventional use of a parabolic trap coupling to (diagonal) density operators. It has the advantage of producing systems which, while still being inhomogeneous, are entirely in the Mott phase, and allow simulations which are free of the sign problem at low temperatures. We analyze the effects of using ODC traps on the local density, density fluctuation, spin, and pairing correlation functions. Finally, we will discuss the advantages and importance of this new confinement technique for modeling correlated systems. Research supported by the Department of Energy, Office of Science SCIDAC program, DOE-DE-FC0206ER25793. [1] V.G. Rousseau et al., arXiv:0909.3543

  11. Functional renormalization group and bosonization as a solver for 2D fermionic Hubbard models

    NASA Astrophysics Data System (ADS)

    Schuetz, Florian; Marston, Brad

    2007-03-01

    The functional renormalization group (fRG) provides an unbiased framework to analyze competing instabilities in two-dimensional electron systems and has been used extensively over the past decade [1]. In order to obtain an equally unbiased tool to interprete the flow, we investigate the combination of a many-patch, one-loop calculation with higher dimensional bosonization [2] of the resulting low-energy action. Subsequently a semi-classical approximation [3] can be used to describe the resulting phases. The spinless Hubbard model on a square lattice with nearest neighbor repulsion is investigated as a test case. [1] M. Salmhofer and C. Honerkamp, Prog. Theor. Phys. 105, 1 (2001). [2] A. Houghton, H.-J. Kwon, J. B. Marston, Adv.Phys. 49, 141 (2000); P. Kopietz, Bosonization of interacting fermions in arbitrary dimensions, (Springer, Berlin, 1997). [3] H.-H. Lin, L. Balents, M. P. A. Fisher, Phys. Rev. B 56, 6569 6593 (1997); J. O. Fjaerestad, J. B. Marston, U. Schollwoeck, Ann. Phys. (N.Y.) 321, 894 (2006).

  12. Numerical simulations - Some results for the 2- and 3-D Hubbard models and a 2-D electron phonon model

    NASA Technical Reports Server (NTRS)

    Scalapino, D. J.; Sugar, R. L.; White, S. R.; Bickers, N. E.; Scalettar, R. T.

    1989-01-01

    Numerical simulations on the half-filled three-dimensional Hubbard model clearly show the onset of Neel order. Simulations of the two-dimensional electron-phonon Holstein model show the competition between the formation of a Peierls-CDW state and a superconducting state. However, the behavior of the partly filled two-dimensional Hubbard model is more difficult to determine. At half-filling, the antiferromagnetic correlations grow as T is reduced. Doping away from half-filling suppresses these correlations, and it is found that there is a weak attractive pairing interaction in the d-wave channel. However, the strength of the pair field susceptibility is weak at the temperatures and lattice sizes that have been simulated, and the nature of the low-temperature state of the nearly half-filled Hubbard model remains open.

  13. Numerical simulations - Some results for the 2- and 3-D Hubbard models and a 2-D electron phonon model

    NASA Technical Reports Server (NTRS)

    Scalapino, D. J.; Sugar, R. L.; White, S. R.; Bickers, N. E.; Scalettar, R. T.

    1989-01-01

    Numerical simulations on the half-filled three-dimensional Hubbard model clearly show the onset of Neel order. Simulations of the two-dimensional electron-phonon Holstein model show the competition between the formation of a Peierls-CDW state and a superconducting state. However, the behavior of the partly filled two-dimensional Hubbard model is more difficult to determine. At half-filling, the antiferromagnetic correlations grow as T is reduced. Doping away from half-filling suppresses these correlations, and it is found that there is a weak attractive pairing interaction in the d-wave channel. However, the strength of the pair field susceptibility is weak at the temperatures and lattice sizes that have been simulated, and the nature of the low-temperature state of the nearly half-filled Hubbard model remains open.

  14. Ferromagnetism in Hubbard models: Low density route

    SciTech Connect

    Mueller-Hartmann, E.

    1995-05-01

    Thirty years ago the Hubbard model was introduced by Gutzwiller, Hubbard and Kanamori with the main purpose of mimicking the ferromagnetism of transition metals. Soon after, Nagaoka and Thouless pointed out a basic mechanism for ferromagnetism in strongly correlated electron systems by studying the motion of a single hole in a half-filled Hubbard model. This important work was hoped to shed light onto metallic ferromagnetism from the low doping regime. Unfortunately, this low doping route towards ferromagnetism has not been successful as far as rigorous results for finite doping concentrations are concerned. In the work presented, we start from the opposite limit of low particle concentrations. In this limit we provide the first proof of a fully polarized metallic ground state for a Hubbard model. The proof proceeds by mapping Hubbard {open_quotes}zigzag{close_quotes} chains onto a continuum model with an additional degree of freedom and local first Hund`s rule coupling. For this model the maximum total spin multiplet is shown to be the unique ground state for infinite Hubbard coupling. Our proof may open a low density route towards the understanding of the ferromagnetism of Hubbard models.

  15. Approaches to the Hubbard Model

    NASA Astrophysics Data System (ADS)

    Maguire, Cary Mcilwaine, Jr.

    This thesis analyzes several theoretical approaches to the one band Hubbard model in hopes of extracting selected physical quantities in limits most closely corresponding to real materials. Along the way, three rather remarkable theorems of a much broader scope are proven. It is hoped that these may be of general interest in a variety of related physical and mathematical disciplines. In chapter one, the well-known mean field theory developed by Affleck and Marston is studied in the presence of a magnetic field. Through a rather straightforward numerical procedure, phase diagrams in t/delta ^ace are generated as a function of field. The results of this study are then extended to a magnetic susceptibility calculation and to the analysis of the phase diagram of fan alternate mean field theory, the "generalized flux phases" proposed by Anderson. Several interesting properties and symmetries of the solutions are then briefly discussed. In chapter two, the Gutzwiller projector is analyzed both analytically and numerically, with the results being used to calculate the momentum density function for a trial wavefunction also proposed by Anderson. Two of the above mentioned theorems are developed in this chapter, the one prescribing the expansion of a general restricted sum in terms of its related unrestricted sums, and the other presenting the exact diagonilization of a component of the projector which is equivalent through a U(1) gauge transformation to the total spin operator. In chapter three, we discuss the exact solutions to the one dimensional Hubbard model first derived by Lieb and Wu. From their large U limiting behavior, we extract the phonon scattering matrix elements and first order single particle energies for some finite systems. The third potentially general theorem, which related charge determinants with an arbitrary number of "gaps" between their rows to a comparatively simple function of the corresponding van der Monde determinants, is proven here.

  16. An algebraic approach to the Hubbard model

    NASA Astrophysics Data System (ADS)

    de Leeuw, Marius; Regelskis, Vidas

    2016-02-01

    We study the algebraic structure of an integrable Hubbard-Shastry type lattice model associated with the centrally extended su (2 | 2) superalgebra. This superalgebra underlies Beisert's AdS/CFT worldsheet R-matrix and Shastry's R-matrix. The considered model specializes to the one-dimensional Hubbard model in a certain limit. We demonstrate that Yangian symmetries of the R-matrix specialize to the Yangian symmetry of the Hubbard model found by Korepin and Uglov. Moreover, we show that the Hubbard model Hamiltonian has an algebraic interpretation as the so-called secret symmetry. We also discuss Yangian symmetries of the A and B models introduced by Frolov and Quinn.

  17. Phase Diagram of the Frustrated Hubbard Model

    NASA Astrophysics Data System (ADS)

    Zitzler, R.; Tong, N.-H.; Pruschke, Th.; Bulla, R.

    2004-07-01

    The Mott-Hubbard metal-insulator transition in the paramagnetic phase of the one-band Hubbard model has long been used to describe similar features in real materials like V2O3. In this Letter we investigate the antiferromagnetic phase of this model with frustration. At T=0 we find a first-order transition from a paramagnetic metal to an antiferromagnetic insulator. We show that even in the presence of strong magnetic frustration, the paramagnetic metal-insulator transition is hidden inside an extended antiferromagnetic region. This raises the question of whether the one-band Hubbard model with frustration is sufficient to describe the phase diagram of V2O3 or similar transition metal oxides even qualitatively.

  18. Fermionic Symmetry-Protected Topological Phase in a Two-Dimensional Hubbard Model

    SciTech Connect

    Chen, Cheng-Chien; Muechler, Lukas; Car, Roberto; Neupert, Titus; Maciejko, Joseph

    2016-08-25

    We study the two-dimensional (2D) Hubbard model using exact diagonalization for spin-1/2 fermions on the triangular and honeycomb lattices decorated with a single hexagon per site. In certain parameter ranges, the Hubbard model maps to a quantum compass model on those lattices. On the triangular lattice, the compass model exhibits collinear stripe antiferromagnetism, implying d-density wave charge order in the original Hubbard model. On the honeycomb lattice, the compass model has a unique, quantum disordered ground state that transforms nontrivially under lattice reflection. The ground state of the Hubbard model on the decorated honeycomb lattice is thus a 2D fermionic symmetry-protected topological phase. This state—protected by time-reversal and reflection symmetries—cannot be connected adiabatically to a free-fermion topological phase.

  19. Fermionic Symmetry-Protected Topological Phase in a Two-Dimensional Hubbard Model

    DOE PAGES

    Chen, Cheng-Chien; Muechler, Lukas; Car, Roberto; ...

    2016-08-25

    We study the two-dimensional (2D) Hubbard model using exact diagonalization for spin-1/2 fermions on the triangular and honeycomb lattices decorated with a single hexagon per site. In certain parameter ranges, the Hubbard model maps to a quantum compass model on those lattices. On the triangular lattice, the compass model exhibits collinear stripe antiferromagnetism, implying d-density wave charge order in the original Hubbard model. On the honeycomb lattice, the compass model has a unique, quantum disordered ground state that transforms nontrivially under lattice reflection. The ground state of the Hubbard model on the decorated honeycomb lattice is thus a 2D fermionicmore » symmetry-protected topological phase. This state—protected by time-reversal and reflection symmetries—cannot be connected adiabatically to a free-fermion topological phase.« less

  20. Fermionic Symmetry-Protected Topological Phase in a Two-Dimensional Hubbard Model.

    PubMed

    Chen, Cheng-Chien; Muechler, Lukas; Car, Roberto; Neupert, Titus; Maciejko, Joseph

    2016-08-26

    We study the two-dimensional (2D) Hubbard model using exact diagonalization for spin-1/2 fermions on the triangular and honeycomb lattices decorated with a single hexagon per site. In certain parameter ranges, the Hubbard model maps to a quantum compass model on those lattices. On the triangular lattice, the compass model exhibits collinear stripe antiferromagnetism, implying d-density wave charge order in the original Hubbard model. On the honeycomb lattice, the compass model has a unique, quantum disordered ground state that transforms nontrivially under lattice reflection. The ground state of the Hubbard model on the decorated honeycomb lattice is thus a 2D fermionic symmetry-protected topological phase. This state-protected by time-reversal and reflection symmetries-cannot be connected adiabatically to a free-fermion topological phase.

  1. Fermionic Symmetry-Protected Topological Phase in a Two-Dimensional Hubbard Model

    NASA Astrophysics Data System (ADS)

    Chen, Cheng-Chien; Muechler, Lukas; Car, Roberto; Neupert, Titus; Maciejko, Joseph

    2016-08-01

    We study the two-dimensional (2D) Hubbard model using exact diagonalization for spin-1 /2 fermions on the triangular and honeycomb lattices decorated with a single hexagon per site. In certain parameter ranges, the Hubbard model maps to a quantum compass model on those lattices. On the triangular lattice, the compass model exhibits collinear stripe antiferromagnetism, implying d -density wave charge order in the original Hubbard model. On the honeycomb lattice, the compass model has a unique, quantum disordered ground state that transforms nontrivially under lattice reflection. The ground state of the Hubbard model on the decorated honeycomb lattice is thus a 2D fermionic symmetry-protected topological phase. This state—protected by time-reversal and reflection symmetries—cannot be connected adiabatically to a free-fermion topological phase.

  2. Fermionic Symmetry-Protected Topological Phase in a Two-Dimensional Hubbard Model

    SciTech Connect

    Chen, Cheng-Chien; Muechler, Lukas; Car, Roberto; Neupert, Titus; Maciejko, Joseph

    2016-08-25

    We study the two-dimensional (2D) Hubbard model using exact diagonalization for spin-1/2 fermions on the triangular and honeycomb lattices decorated with a single hexagon per site. In certain parameter ranges, the Hubbard model maps to a quantum compass model on those lattices. On the triangular lattice, the compass model exhibits collinear stripe antiferromagnetism, implying d-density wave charge order in the original Hubbard model. On the honeycomb lattice, the compass model has a unique, quantum disordered ground state that transforms nontrivially under lattice reflection. The ground state of the Hubbard model on the decorated honeycomb lattice is thus a 2D fermionic symmetry-protected topological phase. This state—protected by time-reversal and reflection symmetries—cannot be connected adiabatically to a free-fermion topological phase.

  3. Thermalization of Bipartite Bose-Hubbard Models.

    PubMed

    Khripkov, Christine; Cohen, Doron; Vardi, Amichay

    2016-05-19

    We study the time evolution of a bipartite Bose-Hubbard model prepared far from equilibrium. When the classical dynamics is chaotic, we observe ergodization of the number distribution and a constant increase of the entanglement entropy between the constituent subsystems until it saturates to thermal equilibrium values. No thermalization is obtained when the system is launched in quasi-integrable phase space regions.

  4. Pairing in the two-dimensional Hubbard model: An exact diagonalization study

    NASA Astrophysics Data System (ADS)

    Lin, H. Q.; Hirsch, J. E.; Scalapino, D. J.

    1988-05-01

    We have studied the pair susceptibilities for all possible pair wave functions that fit on a two-dimensional (2D) eight-site Hubbard cluster by exact diagonalization of the Hamiltonian. Band fillings corresponding to four and six electrons were studied (two or four holes in the half-filled band) for a wide range of Hubbard interaction strengths and temperatures. Our results show that all pairing susceptibilities are suppressed by the Hubbard repulsion. We have also carried out perturbation-theory calculations which show that the leading-order U2 contributions to the d-wave pair susceptibility suppresses d-wave pairing over a significant temperature range. These results are consistent with recent Monte Carlo results and provide further evidence suggesting that the 2D Hubbard model does not exhibit superconductivity.

  5. Spectral properties near the Mott transition in the two-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Kohno, Masanori

    2013-03-01

    Single-particle excitations near the Mott transition in the two-dimensional (2D) Hubbard model are investigated by using cluster perturbation theory. The Mott transition is characterized by the loss of the spectral weight from the dispersing mode that leads continuously to the spin-wave excitation of the Mott insulator. The origins of the dominant modes of the 2D Hubbard model near the Mott transition can be traced back to those of the one-dimensional Hubbard model. Various anomalous spectral features observed in cuprate high-temperature superconductors, such as the pseudogap, Fermi arc, flat band, doping-induced states, hole pockets, and spinon-like and holon-like branches, as well as giant kink and waterfall in the dispersion relation, are explained in a unified manner as properties near the Mott transition in a 2D system.

  6. Mott transition in the Hubbard model

    SciTech Connect

    Shastry, B.S. )

    1992-10-10

    In this article, the author discuss W. Kohn's criterion for a metal insulator transition, within the framework of a one-band Hubbard model. This and related ideas are applied to 1-dimensional Hubbard systems, and some interesting miscellaneous results discussed. The Jordan-Wigner transformation converting the two species of fermions to two species of hardcore bosons is performed in detail, and the extra phases arising from odd-even effects are explicitly derived. Bosons are shown to prefer zero flux (i.e., diamagnetism) and the corresponding happy fluxes: for the fermions identified. A curios result following from the interplay between orbital diamagnetism and spin polarization is highlighted. A spin-statistics like theorem, showing that the anticommutation relations between fermions of opposite spin are crucial to obtain the SU(2) invariance is pointed out.

  7. Dynamical Vertex Approximation for the Hubbard Model

    NASA Astrophysics Data System (ADS)

    Toschi, Alessandro

    A full understanding of correlated electron systems in the physically relevant situations of three and two dimensions represents a challenge for the contemporary condensed matter theory. However, in the last years considerable progress has been achieved by means of increasingly more powerful quantum many-body algorithms, applied to the basic model for correlated electrons, the Hubbard Hamiltonian. Here, I will review the physics emerging from studies performed with the dynamical vertex approximation, which includes diagrammatic corrections to the local description of the dynamical mean field theory (DMFT). In particular, I will first discuss the phase diagram in three dimensions with a special focus on the commensurate and incommensurate magnetic phases, their (quantum) critical properties, and the impact of fluctuations on electronic lifetimes and spectral functions. In two dimensions, the effects of non-local fluctuations beyond DMFT grow enormously, determining the appearance of a low-temperature insulating behavior for all values of the interaction in the unfrustrated model: Here the prototypical features of the Mott-Hubbard metal-insulator transition, as well as the existence of magnetically ordered phases, are completely overwhelmed by antiferromagnetic fluctuations of exponentially large extension, in accordance with the Mermin-Wagner theorem. Eventually, by a fluctuation diagnostics analysis of cluster DMFT self-energies, the same magnetic fluctuations are identified as responsible for the pseudogap regime in the holed-doped frustrated case, with important implications for the theoretical modeling of the cuprate physics.

  8. Hubbard Models in Confined Geometries: Statistical Mechanics of Inhomogeneous Systems

    NASA Astrophysics Data System (ADS)

    Cone, James David

    Optical lattice experiments (OLE) with cold atoms provide an exciting new testing ground for quantum many body models, like the fermion Hubbard model. The conditions of OLE experiments, however, differ in significant ways from our current theoretical models- such as 1) the use of an inhomogeneous potential for trapping atoms and 2) an environment characterized by constant entropy, rather than constant temperature. For experimenters, these differences complicate the identification of phase transitions and comparisons of experimental results with numerical simulations. This research simulates the effects of these experimental constraints with current numerical models and analyzes the impact of these effects on identifying critical phases and phase transitions in OLEs. The results provide potential guidance for OLE experimenters in the exploration of important theoretical questions like the nature and onset of Mott insulating or d-wave super-conducting phases. For the 2D fermion Hubbard model, the research analyzes the impact of several current and proposed methods for trapping atoms in OLEs. Using Quantum Monte Carlo results under constant entropy, we evaluate the effects of these trapping methods on magnetic order and d-wave pairing correlations for the resulting inhomogeneous systems. The goal is to identify the confinement techniques which maximize the likelihood for observing magnetic order or superconductivity in optical lattices

  9. Mott-Hubbard transition in the mass-imbalanced Hubbard model

    NASA Astrophysics Data System (ADS)

    Philipp, Marie-Therese; Wallerberger, Markus; Gunacker, Patrik; Held, Karsten

    2017-06-01

    The mass-imbalanced Hubbard model represents a continuous evolution from the Hubbard to the Falicov-Kimball model. We employ dynamical mean field theory and study the paramagnetic metal-insulator transition, which has a very different nature for the two limiting models. Our results indicate that the metal-insulator transition rather resembles that of the Hubbard model as soon as a tiny hopping between the more localized fermions is switched on. At low temperatures we observe a first-order metal-insulator transition and a three peak structure. The width of the central peak is the same for the more and less mobile fermions when approaching the phase transition, which agrees with our expectation of a common Kondo temperature and phase transition for the two species.

  10. Quasiparticel Spectra of the Hubbard Model

    NASA Astrophysics Data System (ADS)

    Annett, James F.; Beere, William H.

    1998-03-01

    We examine the quasiparticle lifetime and spectral weight near the Fermi surface in the two-dimensional Hubbard model using the FLEX approximation. Examining the spectral functions over a wide range temperature, doping, and at different values of t' and U, we can separate the effects of nesting, the van Hove singularity and short-ranged antiferromagnetic correlations. Near half-filling the quasiparticle scarreting rate, Γ, shows `hot spots' on the Fermi surface assosciated with the proximity to the antiferromagnetic phase transition.( J. Altmann, W. Brenig and A.P. Kampf, cond-mat/9707267) Further away from half filling there is a wide range of doing and temperature where Marginal Fermi Liquid (MFL) behaviour is seen: Γ ~ T. The MFL behavior occurs even when U is reduced below the threshold for antiferromagnetism to occur (for t'neq 0). The MFL region is clearly centered on dopings around to the Van Hove singularity. We conclude that the low temperature upturn in Γ(T) observed in underdoped cuprates is due to antiferromagnetic fluctuations, while the MFL behavior at optimal doping is due to the Van Hove singularity. (P.C. Pattnaik, C.L. Kane, D.M. Newns, and C.C. Tsuei, Phys. Rev. B 45) 5714 (1992).

  11. The dissipative Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Kordas, G.; Witthaut, D.; Buonsante, P.; Vezzani, A.; Burioni, R.; Karanikas, A. I.; Wimberger, S.

    2015-11-01

    Open many-body quantum systems have attracted renewed interest in the context of quantum information science and quantum transport with biological clusters and ultracold atomic gases. The physical relevance in many-particle bosonic systems lies in the realization of counter-intuitive transport phenomena and the stochastic preparation of highly stable and entangled many-body states due to engineered dissipation. We review a variety of approaches to describe an open system of interacting ultracold bosons which can be modeled by a tight-binding Hubbard approximation. Going along with the presentation of theoretical and numerical techniques, we present a series of results in diverse setups, based on a master equation description of the dissipative dynamics of ultracold bosons in a one-dimensional lattice. Next to by now standard numerical methods such as the exact unravelling of the master equation by quantum jumps for small systems and beyond mean-field expansions for larger ones, we present a coherent-state path integral formalism based on Feynman-Vernon theory applied to a many-body context.

  12. Non-standard Hubbard models in optical lattices: a review.

    PubMed

    Dutta, Omjyoti; Gajda, Mariusz; Hauke, Philipp; Lewenstein, Maciej; Lühmann, Dirk-Sören; Malomed, Boris A; Sowiński, Tomasz; Zakrzewski, Jakub

    2015-06-01

    Originally, the Hubbard model was derived for describing the behavior of strongly correlated electrons in solids. However, for over a decade now, variations of it have also routinely been implemented with ultracold atoms in optical lattices, allowing their study in a clean, essentially defect-free environment. Here, we review some of the vast literature on this subject, with a focus on more recent non-standard forms of the Hubbard model. After giving an introduction to standard (fermionic and bosonic) Hubbard models, we discuss briefly common models for mixtures, as well as the so-called extended Bose-Hubbard models, that include interactions between neighboring sites, next-neighbor sites, and so on. The main part of the review discusses the importance of additional terms appearing when refining the tight-binding approximation for the original physical Hamiltonian. Even when restricting the models to the lowest Bloch band is justified, the standard approach neglects the density-induced tunneling (which has the same origin as the usual on-site interaction). The importance of these contributions is discussed for both contact and dipolar interactions. For sufficiently strong interactions, the effects related to higher Bloch bands also become important even for deep optical lattices. Different approaches that aim at incorporating these effects, mainly via dressing the basis, Wannier functions with interactions, leading to effective, density-dependent Hubbard-type models, are reviewed. We discuss also examples of Hubbard-like models that explicitly involve higher p orbitals, as well as models that dynamically couple spin and orbital degrees of freedom. Finally, we review mean-field nonlinear Schrödinger models of the Salerno type that share with the non-standard Hubbard models nonlinear coupling between the adjacent sites. In that part, discrete solitons are the main subject of consideration. We conclude by listing some open problems, to be addressed in the future.

  13. Quantum Paramagnet in a π Flux Triangular Lattice Hubbard Model

    NASA Astrophysics Data System (ADS)

    Rachel, Stephan; Laubach, Manuel; Reuther, Johannes; Thomale, Ronny

    2015-04-01

    We propose the π flux triangular lattice Hubbard model (π THM) as a prototypical setup to stabilize magnetically disordered quantum states of matter in the presence of charge fluctuations. The quantum paramagnetic domain of the π THM that we identify for intermediate Hubbard U is framed by a Dirac semimetal for weak coupling and by 120° Néel order for strong coupling. Generalizing the Klein duality from spin Hamiltonians to tight-binding models, the π THM maps to a Hubbard model which corresponds to the (JH,JK)=(-1 ,2 ) Heisenberg-Kitaev model in its strong coupling limit. The π THM provides a promising microscopic testing ground for exotic finite-U spin liquid ground states amenable to numerical investigation.

  14. Numerical exploration of spontaneous broken symmetries in multiorbital Hubbard models

    SciTech Connect

    Kung, Y. F.; Chen, C. -C.; Moritz, B.; Johnston, S.; Thomale, R.; Devereaux, T. P.

    2014-12-05

    Here, we study three proposals for broken symmetry in the cuprate pseudogap-oxygen antiferromagnetism, Theta(II) orbital loop currents, and circulating currents involving apex oxygens-through numerical exploration of multiorbital Hubbard models. Our numerically exact results show no evidence for the existence of oxygen antiferromagnetic order or the Theta(II) phase in the three-orbital Hubbard model. The model also fails to sustain an ordered current pattern even with the presence of additional apex oxygen orbitals. Thus, we conclude that it is difficult to stabilize the aforementioned phases in the multiorbital Hubbard models for parameters relevant to cuprate superconductors. However, the Theta(II) phase might be stabilized through explicit flux terms. We also found an enhanced propensity for circulating currents with such terms in calculations simulating applied stress or strain, which skew the copper-oxygen plane to resemble a kagome lattice. We propose an experimental viewpoint to shed additional light on this problem.

  15. Electronic correlations in the Hubbard model on a bi-partite lattice

    NASA Astrophysics Data System (ADS)

    Ameen, Wissam A.; Walet, Niels R.; Xian, Yang

    2017-03-01

    In this work we study the Hubbard model on a bi-partite lattice using the coupled-cluster method (CCM). We first investigate how to implement this approach in order to reproduce the lack of magnetic order in the 1D model, as predicted by the exact Bethe-Ansatz solution. This result can only be reproduced if we include an algebraic correlation in some of the coupled-cluster model coefficients. Using the correspondence between the Heisenberg model and the Hubbard model in the large-coupling limit, we use very accurate results for the CCM applied to the Heisenberg and its generalisation, the XXZ model, to determine CCM coefficients with the correct properties. Using the same approach we then study the 2D Hubbard model on a square and a honeycomb lattice, both of which can be thought of as simplified models of real 2D materials. We analyse the charge and spin excitations, and show that with care we can obtain good results.

  16. Novel pairing in the Hubbard model with confinement potential

    NASA Astrophysics Data System (ADS)

    Machida, Masahiko; Yamada, Susumu; Ohashi, Yoji; Matsumoto, Hideki

    2006-10-01

    We explore a novel type of pairing in the repulsive Hubbard model with a confinement potential. Such an undertaking situation including the confinement potential is realized in a part of intense spatial modulations observed in High-Tc cuprate superconductors, while an atomic Fermi gas loaded on an optical lattice is described by the Hubbard model with the confinement potential. In this paper, applying the exact diagonalization method to a one-dimensional Hubbard model with the confinement potential, we find that, when U exceeds a critical value, the binding energy of two Fermi atoms becomes 'negative, indicating that an attractive interaction effectively works between two fermions. In this case, a 'Mott core' appears in the confinement center, where each site is occupied by one atom, and the Cooper-pair function strongly develops between fermions in the left and right hand sides of this core.

  17. Improved Full Configuration Interaction Monte Carlo for the Hubbard Model

    NASA Astrophysics Data System (ADS)

    Changlani, Hitesh; Holmes, Adam; Petruzielo, Frank; Chan, Garnet; Henley, C. L.; Umrigar, C. J.

    2012-02-01

    We consider the recently proposed full configuration interaction quantum Monte Carlo (FCI-QMC) method and its ``initiator'' extension, both of which promise to ameliorate the sign problem by utilizing the cancellation of positive and negative walkers in the Hilbert space of Slater determinants. While the method has been primarily used for quantum chemistry by A.Alavi and his co-workers [1,2], its application to lattice models in solid state physics has not been tested. We propose an improvement in the form of choosing a basis to make the wavefunction more localized in Fock space, which potentially also reduces the sign problem. We perform calculations on the 4x4 and 8x8 Hubbard models in real and momentum space and in a basis motivated by the reduced density matrix of a 2x2 real space patch obtained from the exact diagonalization of a larger system in which it is embedded. We discuss our results for a range of fillings and U/t and compare them with previous Auxiliary Field QMC and Fixed Node Green's Function Monte Carlo calculations. [4pt] [1] George Booth, Alex Thom, Ali Alavi, J Chem Phys, 131, 050106,(2009)[0pt] [2] D Cleland, GH Booth, Ali Alavi, J Chem Phys 132, 041103, (2010)

  18. Pseudogaps in the three-band Hubbard model

    NASA Astrophysics Data System (ADS)

    Sherman, Alexei

    2016-04-01

    Using the strong coupling diagram technique, the energy spectrum of the three-band Hubbard model is investigated. In these calculations, the series in powers of the copper-oxygen hybridization for the irreducible part is approximated by two lowest-order terms. For parameters of hole-doped cuprates the calculated energy spectrum consists of lower and upper Hubbard subbands of predominantly copper nature, oxygen bands with some admixture of copper states and the Zhang-Rice states of mixed nature. The spectrum contains two pseudogaps, the lower of which separates the Hubbard subband from Zhang-Rice and oxygen bands. The pseudogaps arise due to multiple reabsorption of carriers in states with double occupancy of sites by holes or electrons.

  19. A bespoke single-band Hubbard model material

    NASA Astrophysics Data System (ADS)

    Griffin, S. M.; Staar, P.; Schulthess, T. C.; Troyer, M.; Spaldin, N. A.

    2016-02-01

    The Hubbard model, which augments independent-electron band theory with a single parameter to describe electron-electron correlations, is widely regarded to be the "standard model" of condensed-matter physics. The model has been remarkably successful at addressing a range of correlation phenomena in solids, but it neglects many behaviors that occur in real materials, such as phonons, long-range interactions, and, in its simplest form, multiorbital effects. Here, we use ab initio electronic structure methods to design a material whose Hamiltonian matches as closely as possible that of the single-band Hubbard model. Our motivation is to compare the measured properties of our new material to those predicted by reliable theoretical solutions of the Hubbard model to determine the relevance of the model in the description of real materials. After identifying an appropriate crystal class and several appropriate chemistries, we use density-functional theory and dynamical mean-field theory to screen for the desired electronic band structure and metal-insulator transition. We then explore the most promising candidates for structural stability and suitability for doping, and we propose specific materials for subsequent synthesis. Finally, we identify a regime—that should manifest in our bespoke material—in which the single-band Hubbard model on a triangular lattice exhibits exotic d -wave superconductivity.

  20. Critical points of the anyon-Hubbard model

    NASA Astrophysics Data System (ADS)

    Arcila-Forero, J.; Franco, R.; Silva-Valencia, J.

    2016-07-01

    Anyons are particles with fractional statistics that exhibit a nontrivial change in the wave function under an exchange of particles. Anyons can be considered to be a general category of particles that interpolate between fermions and bosons. We determined the position of the critical points of the one-dimensional anyon-Hubbard model, which was mapped to a modified Bose-Hubbard model where the tunneling depends on the local density and the interchange angle. We studied the latter model by using the density-matrix renormalization-group method and observed that gapped (Mott insulator) and gapless (superfluid) phases characterized the phase diagram, regardless of the value of the statistical angle. The phase diagram for higher densities was calculated and showed that the Mott lobes increase (decrease) as a function of the statistical angle (global density). The position of the critical point separating the gapped and gapless phases was found using quantum information tools, namely the block von Neumann entropy. We also studied the evolution of the critical point with the global density and the statistical angle and showed that the anyon-Hubbard model with a statistical angle θ =π /4 is in the same universality class as the Bose-Hubbard model with two-body interactions.

  1. Correlation driven dimensional reduction in a two orbital Hubbard model

    NASA Astrophysics Data System (ADS)

    Mukherjee, Anamitra; Patel, Niravkumar D.; Moreo, Adrianna; Dagotto, Elbio

    We apply a recently developed many-body technique that allows for the incorporation of thermal effects, to a two orbital Hubbard model of relevance for the pnictides. In this `Mean Field-Monte Carlo' (MF-MC) approach, we first perform a mean field (MF) decomposition of the Hubbard model and then treat the mean field parameters via the standard finite-temperature classical Monte Carlo (MC). We have earlier established that for the one orbital Hubbard model, this MF-MC approach provides remarkable improvement over simple finite-temperature mean field methods and is in good agreement with Determinantal Quantum Monte Carlo results. In this talk we will discuss our MC-MF results applied to the two orbital Hubbard model with degenerate dxz and dyz orbitals for the undoped pnictides. The onsite repulsion strength U vs. temperature phase diagram is rich and has a narrow window of nematicity above the N'eel temperature. Our main result is the discovery of a novel intermediate coupling regime characterized by an unexpected spontaneous dimensional reduction that renders one direction insulating and the other metallic.

  2. Quantum Monte Carlo study of mass-imbalanced Hubbard models

    NASA Astrophysics Data System (ADS)

    Liu, Ye-Hua; Wang, Lei

    2015-12-01

    Building on recent solutions of the fermion sign problem for specific models we present two continuous-time quantum Monte Carlo methods for efficient simulation of mass-imbalanced Hubbard models on bipartite lattices at half filling. For both methods we present the solutions to the fermion sign problem and the algorithms to achieve efficient simulations. As applications, we calculate the dependence of the spin correlation on the mass imbalance in a one-dimensional lattice and study the thermal and quantum phase transitions to an antiferromagnetic Ising long-range ordered state in two dimensions. These results offer unbiased predictions for experiments on ultracold atoms and bridge known exact solutions of the Falicov-Kimball model and previous studies of the SU(2 ) -symmetric Hubbard model.

  3. U(1) slave-particle study of the finite-temperature doped Hubbard model in one and two dimensions

    SciTech Connect

    Ribeiro, P.; Sacramento, P.D.; Araujo, M.A.N.

    2011-05-15

    Research Highlights: > Mean-field U(1) slave-particle description of Hubbard model. > Fractionalized phases at finite-temperature in Hubbard model. > Spectral function of 1d and 2d Hubbard model. - Abstract: One-dimensional systems have unusual properties such as fractionalization of degrees of freedom. The occurrence of similar phenomena in higher dimensional systems has been considered in the literature for the description of quantum spin liquids and some non-fermi liquid phases. In this work we construct a mean field (MF) theory of the Hubbard model which is based on a representation of the electronic fields that explicitly introduces a separation of the charge and spin degrees of freedom (the so-called Zou-Anderson transformation) and study the finite-temperature phase diagram for the Hubbard chain and square lattice. The mean field variables are defined along the links of the underlying lattice. We obtain the spectral function and identify the regions of higher spectral weight with the fractionalized fermionic (spin) and bosonic (charge) excitations.

  4. Dynamical mean field solution of the Bose-Hubbard model.

    PubMed

    Anders, Peter; Gull, Emanuel; Pollet, Lode; Troyer, Matthias; Werner, Philipp

    2010-08-27

    We present the effective action and self-consistency equations for the bosonic dynamical mean field approximation to the bosonic Hubbard model and show that it provides remarkably accurate phase diagrams and correlation functions. To solve the bosonic dynamical mean field equations, we use a continuous-time Monte Carlo method for bosonic impurity models based on a diagrammatic expansion in the hybridization and condensate coupling. This method is readily generalized to bosonic mixtures, spinful bosons, and Bose-Fermi mixtures.

  5. The Langevin method and Hubbard-like models

    NASA Astrophysics Data System (ADS)

    Gross, Mark; Hamber, Herbert

    1989-12-01

    We reexamine the difficulties associated with application of the Langevin method to numerical simulation of models with non-positive definite statistical weights, including the Hubbard model. We show how to avoid the violent crossing of the zeroes of the weights and how to move those nodes away from the real axis. However, it still appears necessary to keep track of the sign (or phase) of the weight.

  6. Magnon edge states in the hardcore- Bose-Hubbard model.

    PubMed

    Owerre, S A

    2016-11-02

    Quantum Monte Carlo (QMC) simulation has uncovered nonzero Berry curvature and bosonic edge states in the hardcore-Bose-Hubbard model on the gapped honeycomb lattice. The competition between the chemical potential and staggered onsite potential leads to an interesting quantum phase diagram comprising the superfluid phase, Mott insulator, and charge density wave insulator. In this paper, we present a semiclassical perspective of this system by mapping to a spin-1/2 quantum XY model. We give an explicit analytical origin of the quantum phase diagram, the Berry curvatures, and the edge states using semiclassical approximations. We find very good agreement between the semiclassical analyses and the QMC results. Our results show that the topological properties of the hardcore-Bose-Hubbard model are the same as those of magnon in the corresponding quantum spin system. Our results are applicable to systems of ultracold bosonic atoms trapped in honeycomb optical lattices.

  7. Equation of State of the Two-Dimensional Hubbard Model.

    PubMed

    Cocchi, Eugenio; Miller, Luke A; Drewes, Jan H; Koschorreck, Marco; Pertot, Daniel; Brennecke, Ferdinand; Köhl, Michael

    2016-04-29

    The subtle interplay between kinetic energy, interactions, and dimensionality challenges our comprehension of strongly correlated physics observed, for example, in the solid state. In this quest, the Hubbard model has emerged as a conceptually simple, yet rich model describing such physics. Here we present an experimental determination of the equation of state of the repulsive two-dimensional Hubbard model over a broad range of interactions 0≲U/t≲20 and temperatures, down to k_{B}T/t=0.63(2) using high-resolution imaging of ultracold fermionic atoms in optical lattices. We show density profiles, compressibilities, and double occupancies over the whole doping range, and, hence, our results constitute benchmarks for state-of-the-art theoretical approaches.

  8. Magnon edge states in the hardcore- Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Owerre, S. A.

    2016-11-01

    Quantum Monte Carlo (QMC) simulation has uncovered nonzero Berry curvature and bosonic edge states in the hardcore-Bose-Hubbard model on the gapped honeycomb lattice. The competition between the chemical potential and staggered onsite potential leads to an interesting quantum phase diagram comprising the superfluid phase, Mott insulator, and charge density wave insulator. In this paper, we present a semiclassical perspective of this system by mapping to a spin-1/2 quantum XY model. We give an explicit analytical origin of the quantum phase diagram, the Berry curvatures, and the edge states using semiclassical approximations. We find very good agreement between the semiclassical analyses and the QMC results. Our results show that the topological properties of the hardcore-Bose-Hubbard model are the same as those of magnon in the corresponding quantum spin system. Our results are applicable to systems of ultracold bosonic atoms trapped in honeycomb optical lattices.

  9. Equation of State of the Two-Dimensional Hubbard Model

    NASA Astrophysics Data System (ADS)

    Cocchi, Eugenio; Miller, Luke A.; Drewes, Jan H.; Koschorreck, Marco; Pertot, Daniel; Brennecke, Ferdinand; Köhl, Michael

    2016-04-01

    The subtle interplay between kinetic energy, interactions, and dimensionality challenges our comprehension of strongly correlated physics observed, for example, in the solid state. In this quest, the Hubbard model has emerged as a conceptually simple, yet rich model describing such physics. Here we present an experimental determination of the equation of state of the repulsive two-dimensional Hubbard model over a broad range of interactions 0 ≲U /t ≲20 and temperatures, down to kBT /t =0.63 (2 ) using high-resolution imaging of ultracold fermionic atoms in optical lattices. We show density profiles, compressibilities, and double occupancies over the whole doping range, and, hence, our results constitute benchmarks for state-of-the-art theoretical approaches.

  10. Complete Phase Diagram for the 3-d Hubbard Model

    NASA Astrophysics Data System (ADS)

    Berker, A. Nihat

    2000-03-01

    The Hubbard and tJ models are the basic microscopic models for electronic conductivity. Surprisingly, their phase diagrams, in temperature versus electron density, had not been known away from zero temperature, away from half-filling electron density, and in three dimensions (d=3). We have calculated these phase diagrams, in d=2 and 3, at all finite temperatures and for the full range of electron densities, for the tJ[1,2] and Hubbard[3] models. We use an approximate renormalization-group theory with respectively four- and ten-dimensional flows. In the d=3 Hubbard model, an antiferromagnetic phase occurs near half-filling, but is unstable to at most 10% electron or hole doping. Between 30-40% electron or hole doping, a new phase (which we called the tau phase) occurs, in which the electron hopping strength t renormalizes to infinity; in all other phases, t renormalizes to zero. Most recent renormalization-group work[4] shows that the tau phase supports current in the absence of applied voltage. At temperatures above the tau phase, an incommensurate spin modulation phase is indicated. Near the tau phase, a first-order transition occurs with a remarkably narrow phase separation, namely a jump in electron density less than 2%. Clearly this phase diagram shows similarity to the experimental phase diagrams of high-Tc superconductors. The tJ model in d=3 exhibits a similar phase diagram. In d=2, the Hubbard model exhibits no phase transition at finite temperatures, whereas the tJ model exhibits phase separation for t/J<0.25. [1] A. Falicov and A.N. Berker, Phys. Rev. B 51, 12458 (1995). [2] A. Falicov and A.N. Berker, Turk. J. Phys. 19, 127 (1995). [3] G. Migliorini and A.N. Berker, MIT-ITU-Gursey preprint (1998). [4] A. Kabakcioglu and A.N. Berker, to be published.

  11. Condensed ground states of frustrated Bose-Hubbard models

    SciTech Connect

    Moeller, G.; Cooper, N. R.

    2010-12-15

    We study theoretically the ground states of two-dimensional Bose-Hubbard models which are frustrated by gauge fields. Motivated by recent proposals for the implementation of optically induced gauge potentials, we focus on the situation in which the imposed gauge fields give rise to a pattern of staggered fluxes of magnitude {alpha} and alternating in sign along one of the principal axes. For {alpha}=1/2 this model is equivalent to the case of uniform flux per plaquette n{sub {phi}=}1/2, which, in the hard-core limit, realizes the 'fully frustrated' spin-1/2 XY model. We show that the mean-field ground states of this frustrated Bose-Hubbard model typically break translational symmetry. Given the presence of both a non-zero superfluid fraction and translational symmetry breaking, these phases are supersolid. We introduce a general numerical technique to detect broken symmetry condensates in exact diagonalization studies. Using this technique we show that, for all cases studied, the ground state of the Bose-Hubbard model with staggered flux {alpha} is condensed, and we obtain quantitative determinations of the condensate fraction. We discuss the experimental consequences of our results. In particular, we explain the meaning of gauge invariance in ultracold-atom systems subject to optically induced gauge potentials and show how the ability to imprint phase patterns prior to expansion can allow very useful additional information to be extracted from expansion images.

  12. Extended Bose-Hubbard models with ultracold magnetic atoms.

    PubMed

    Baier, S; Mark, M J; Petter, D; Aikawa, K; Chomaz, L; Cai, Z; Baranov, M; Zoller, P; Ferlaino, F

    2016-04-08

    The Hubbard model underlies our understanding of strongly correlated materials. Whereas its standard form only comprises interactions between particles at the same lattice site, extending it to encompass long-range interactions is predicted to profoundly alter the quantum behavior of the system. We realize the extended Bose-Hubbard model for an ultracold gas of strongly magnetic erbium atoms in a three-dimensional optical lattice. Controlling the orientation of the atomic dipoles, we reveal the anisotropic character of the onsite interaction and hopping dynamics and their influence on the superfluid-to-Mott insulator quantum phase transition. Moreover, we observe nearest-neighbor interactions, a genuine consequence of the long-range nature of dipolar interactions. Our results lay the groundwork for future studies of exotic many-body quantum phases.

  13. Extended Bose-Hubbard models with ultracold magnetic atoms

    NASA Astrophysics Data System (ADS)

    Baier, S.; Mark, M. J.; Petter, D.; Aikawa, K.; Chomaz, L.; Cai, Z.; Baranov, M.; Zoller, P.; Ferlaino, F.

    2016-04-01

    The Hubbard model underlies our understanding of strongly correlated materials. Whereas its standard form only comprises interactions between particles at the same lattice site, extending it to encompass long-range interactions is predicted to profoundly alter the quantum behavior of the system. We realize the extended Bose-Hubbard model for an ultracold gas of strongly magnetic erbium atoms in a three-dimensional optical lattice. Controlling the orientation of the atomic dipoles, we reveal the anisotropic character of the onsite interaction and hopping dynamics and their influence on the superfluid-to-Mott insulator quantum phase transition. Moreover, we observe nearest-neighbor interactions, a genuine consequence of the long-range nature of dipolar interactions. Our results lay the groundwork for future studies of exotic many-body quantum phases.

  14. Unconventional fermi surface instabilities in the kagome Hubbard model.

    PubMed

    Kiesel, Maximilian L; Platt, Christian; Thomale, Ronny

    2013-03-22

    We investigate the competing Fermi surface instabilities in the kagome tight-binding model. Specifically, we consider on-site and short-range Hubbard interactions in the vicinity of van Hove filling of the dispersive kagome bands where the fermiology promotes the joint effect of enlarged density of states and nesting. The sublattice interference mechanism devised by Kiesel and Thomale [Phys. Rev. B 86, 121105 (2012)] allows us to explain the intricate interplay between ferromagnetic fluctuations and other ordering tendencies. On the basis of the functional renormalization group used to obtain an adequate low-energy theory description, we discover finite angular momentum spin and charge density wave order, a twofold degenerate d-wave Pomeranchuk instability, and f-wave superconductivity away from van Hove filling. Together, this makes the kagome Hubbard model the prototypical scenario for several unconventional Fermi surface instabilities.

  15. Bose-Hubbard model on a checkerboard superlattice

    NASA Astrophysics Data System (ADS)

    Iskin, Menderes

    2011-05-01

    We study the ground-state phases of the Bose-Hubbard model on a checkerboard superlattice in two dimensions, including the superfluid phase and the Mott and charge-density-wave insulators. First, we discuss the single-particle Hofstadter problem, and show that the presence of a checkerboard superlattice gives rise to a magnetic flux-independent energy gap in the excitation spectrum. Then, we consider the many-particle problem, and derive an analytical mean-field expression for the superfluid-Mott and superfluid-charge-density-wave insulator phase transition boundaries. Finally, since the phase diagram of the Bose-Hubbard model on a checkerboard superlattice is in many ways similar to that of the extended Bose-Hubbard model, we comment on the effects of magnetic field on the latter model, and derive an analytical mean-field expression for the superfluid-insulator phase transition boundaries as well. This work is supported by Marie Curie International Reintegration Grant (FP7-PEOPLE-IRG-2010-268239).

  16. Ground states of the spin-1 Bose-Hubbard model.

    PubMed

    Katsura, Hosho; Tasaki, Hal

    2013-03-29

    We prove basic theorems about the ground states of the S=1 Bose-Hubbard model. The results are quite universal and depend only on the coefficient U2 of the spin-dependent interaction. We show that the ground state exhibits saturated ferromagnetism if U2<0, is spin-singlet if U2>0, and exhibits "SU(3)-ferromagnetism" if U2=0, and completely determine the degeneracy in each region.

  17. Spin and charge fluctuations in the Hubbard model

    NASA Astrophysics Data System (ADS)

    Sherman, A.

    2017-10-01

    Using the strong coupling diagram technique for calculating the electron Green's function of the two-dimensional Hubbard model we have summed infinite sequences of ladder diagrams, which describe interactions of electrons with spin and charge fluctuations. For sufficiently low temperatures and doping a pronounced four-band structure is observed in spectral functions. Its appearance is related to the proximity of the transition to the long-range antiferromagnetic order.

  18. Variational tensor network renormalization in imaginary time: Benchmark results in the Hubbard model at finite temperature

    NASA Astrophysics Data System (ADS)

    Czarnik, Piotr; Rams, Marek M.; Dziarmaga, Jacek

    2016-12-01

    A Gibbs operator e-β H for a two-dimensional (2D) lattice system with a Hamiltonian H can be represented by a 3D tensor network, with the third dimension being the imaginary time (inverse temperature) β . Coarse graining the network along β results in a 2D projected entangled-pair operator (PEPO) with a finite bond dimension. The coarse graining is performed by a tree tensor network of isometries. They are optimized variationally to maximize the accuracy of the PEPO as a representation of the 2D thermal state e-β H. The algorithm is applied to the two-dimensional Hubbard model on an infinite square lattice. Benchmark results at finite temperature are obtained that are consistent with the best cluster dynamical mean-field theory and power-series expansion in the regime of parameters where they yield mutually consistent results.

  19. Fidelity study of superconductivity in extended Hubbard models

    SciTech Connect

    Plonka, N.; Jia, C. J.; Wang, Y.; Moritz, B.; Devereaux, T. P.

    2015-07-08

    The Hubbard model with local on-site repulsion is generally thought to possess a superconducting ground state for appropriate parameters, but the effects of more realistic long-range Coulomb interactions have not been studied extensively. We study the influence of these interactions on superconductivity by including nearest- and next-nearest-neighbor extended Hubbard interactions in addition to the usual on-site terms. Utilizing numerical exact diagonalization, we analyze the signatures of superconductivity in the ground states through the fidelity metric of quantum information theory. Finally, we find that nearest and next-nearest neighbor interactions have thresholds above which they destabilize superconductivity regardless of whether they are attractive or repulsive, seemingly due to competing charge fluctuations.

  20. Entanglement entropies of the quarter filled Hubbard model

    NASA Astrophysics Data System (ADS)

    Calabrese, Pasquale; Essler, Fabian H. L.; Läuchli, Andreas M.

    2014-09-01

    We study Rényi and von Neumann entanglement entropies in the ground state of the one dimensional quarter-filled Hubbard model with periodic boundary conditions. We show that they exhibit an unexpected dependence on system size: for L = 4mod 8 the results are in agreement with expectations based on conformal field theory, while for L = 0mod 8 additional contributions arise. We show that these can be understood in terms of a ‘shell-filling’ effect and we develop a conformal field theory approach to calculate the additional contributions to the entropies. These analytic results are found to be in excellent agreement with density matrix renormalization group computations for weak Hubbard interactions. We argue that for larger interactions the presence of a marginal irrelevant operator in the spin sector strongly affects the entropies at the finite sizes accessible numerically and we present an effective way to take them into account.

  1. Fidelity study of superconductivity in extended Hubbard models

    DOE PAGES

    Plonka, N.; Jia, C. J.; Wang, Y.; ...

    2015-07-08

    The Hubbard model with local on-site repulsion is generally thought to possess a superconducting ground state for appropriate parameters, but the effects of more realistic long-range Coulomb interactions have not been studied extensively. We study the influence of these interactions on superconductivity by including nearest- and next-nearest-neighbor extended Hubbard interactions in addition to the usual on-site terms. Utilizing numerical exact diagonalization, we analyze the signatures of superconductivity in the ground states through the fidelity metric of quantum information theory. Finally, we find that nearest and next-nearest neighbor interactions have thresholds above which they destabilize superconductivity regardless of whether they aremore » attractive or repulsive, seemingly due to competing charge fluctuations.« less

  2. Brittle damage models in DYNA2D

    SciTech Connect

    Faux, D.R.

    1997-09-01

    DYNA2D is an explicit Lagrangian finite element code used to model dynamic events where stress wave interactions influence the overall response of the system. DYNA2D is often used to model penetration problems involving ductile-to-ductile impacts; however, with the advent of the use of ceramics in the armor-anti-armor community and the need to model damage to laser optics components, good brittle damage models are now needed in DYNA2D. This report will detail the implementation of four brittle damage models in DYNA2D, three scalar damage models and one tensor damage model. These new brittle damage models are then used to predict experimental results from three distinctly different glass damage problems.

  3. Matrix models of 2d gravity

    SciTech Connect

    Ginsparg, P.

    1991-01-01

    These are introductory lectures for a general audience that give an overview of the subject of matrix models and their application to random surfaces, 2d gravity, and string theory. They are intentionally 1.5 years out of date.

  4. Matrix models of 2d gravity

    SciTech Connect

    Ginsparg, P.

    1991-12-31

    These are introductory lectures for a general audience that give an overview of the subject of matrix models and their application to random surfaces, 2d gravity, and string theory. They are intentionally 1.5 years out of date.

  5. Spectral analysis of two-dimensional Bose-Hubbard models

    NASA Astrophysics Data System (ADS)

    Fischer, David; Hoffmann, Darius; Wimberger, Sandro

    2016-04-01

    One-dimensional Bose-Hubbard models are well known to obey a transition from regular to quantum-chaotic spectral statistics. We are extending this concept to relatively simple two-dimensional many-body models. Also in two dimensions a transition from regular to chaotic spectral statistics is found and discussed. In particular, we analyze the dependence of the spectral properties on the bond number of the two-dimensional lattices and the applied boundary conditions. For maximal connectivity, the systems behave most regularly in agreement with the applicability of mean-field approaches in the limit of many nearest-neighbor couplings at each site.

  6. Quantum symmetries induced by phonons in the Hubbard model

    NASA Astrophysics Data System (ADS)

    Montorsi, Arianna; Rasetti, Mario

    1994-03-01

    We show how the addition of a phonon field to the Hubbard model deforms the superconducting su(2) part of the global symmetry Lie algebra su(2)⊗su(2)/openZ2, holding at half filling for the customary model, into a quantum [su(2)]q symmetry, holding for a filling which depends on the electron-phonon interaction strength. Such symmetry originates in the feature that in the presence of phonons the hopping amplitude turns out to depend on the coupling strength. The states generated by resorting to this q symmetry exhibit both off-diagonal long-range order and pairing.

  7. Nonlocal order parameters for the 1D Hubbard model.

    PubMed

    Montorsi, Arianna; Roncaglia, Marco

    2012-12-07

    We characterize the Mott-insulator and Luther-Emery phases of the 1D Hubbard model through correlators that measure the parity of spin and charge strings along the chain. These nonlocal quantities order in the corresponding gapped phases and vanish at the critical point U(c)=0, thus configuring as hidden order parameters. The Mott insulator consists of bound doublon-holon pairs, which in the Luther-Emery phase turn into electron pairs with opposite spins, both unbinding at U(c). The behavior of the parity correlators is captured by an effective free spinless fermion model.

  8. Nonlocal Order Parameters for the 1D Hubbard Model

    NASA Astrophysics Data System (ADS)

    Montorsi, Arianna; Roncaglia, Marco

    2012-12-01

    We characterize the Mott-insulator and Luther-Emery phases of the 1D Hubbard model through correlators that measure the parity of spin and charge strings along the chain. These nonlocal quantities order in the corresponding gapped phases and vanish at the critical point Uc=0, thus configuring as hidden order parameters. The Mott insulator consists of bound doublon-holon pairs, which in the Luther-Emery phase turn into electron pairs with opposite spins, both unbinding at Uc. The behavior of the parity correlators is captured by an effective free spinless fermion model.

  9. Solving the Bose-Hubbard Model with Machine Learning

    NASA Astrophysics Data System (ADS)

    Saito, Hiroki

    2017-09-01

    Motivated by the recent successful application of artificial neural networks to quantum many-body problems [G. Carleo and M. Troyer, Science 355, 602 (2017)], a method to calculate the ground state of the Bose-Hubbard model using a feedforward neural network is proposed. The results are in good agreement with those obtained by exact diagonalization and the Gutzwiller approximation. The method of neural-network quantum states is promising for solving quantum many-body problems of ultracold atoms in optical lattices.

  10. Quantum glass phases in the disordered Bose-Hubbard model.

    PubMed

    Sengupta, Pinaki; Haas, Stephan

    2007-08-03

    The phase diagram of the Bose-Hubbard model in the presence of off-diagonal disorder is determined using quantum Monte Carlo simulations. A sequence of quantum glass phases intervene at the interface between the Mott insulating and the superfluid phases of the clean system. In addition to the standard Bose glass phase, the coexistence of gapless and gapped regions close to the Mott insulating phase leads to a novel Mott glass regime which is incompressible yet gapless. Numerical evidence for the properties of these phases is given in terms of global (compressibility, superfluid stiffness) and local (compressibility, momentum distribution) observables.

  11. Superconductivity in the two-dimensional generalized Hubbard model

    NASA Astrophysics Data System (ADS)

    Lima, L. S.

    2016-08-01

    We have used the Green's functions method at finite temperature and the Kubo's formalism, to calculate the electron conductivity σ(ω) in the generalized two-dimensional Hubbard model. We have obtained a behavior superconductor for the system to T > T0. The AC conductivity falls to zero in ω =ω0 , where ω0 depends on Δ, which is the gap of the system. The behavior gotten is according of with the behavior of the superconductors of high Tc where there is a changes abruptly from a Mott's insulator state to superconductor.

  12. Dual-fermion approach to the Anderson-Hubbard model

    NASA Astrophysics Data System (ADS)

    Haase, P.; Yang, S.-X.; Pruschke, T.; Moreno, J.; Jarrell, M.

    2017-01-01

    We apply the recently developed dual-fermion algorithm for disordered interacting systems to the Anderson-Hubbard model. This algorithm is compared with dynamical cluster approximation calculations for a one-dimensional system to establish the quality of the approximation in comparison with an established cluster method. We continue with a three-dimensional (3D) system and look at the antiferromagnetic, Mott, and Anderson localization transitions. The dual-fermion approach leads to quantitative as well as qualitative improvement of the dynamical mean-field results, and it allows one to calculate the hysteresis in the double occupancy in 3D, taking into account nonlocal correlations.

  13. C*-algebraic approach to the Bose-Hubbard model

    SciTech Connect

    Adams, Stefan; Dorlas, Tony

    2007-10-15

    We give a new derivation of the variational formula for the pressure of the long-range-hopping Bose-Hubbard model, which was first proven by Bru and Dorlas [J. Stat. Phys. 113, 177 (2003)]. The proof is analogous to that of a theorem on noncommutative large deviations introduced by Petz et al. [Commun. Math. Phys. 121, 271 (1989)] and could similarly be extended to more general Bose systems of mean-field type. We apply this formalism to prove Bose-Einstein condensation for the case of small coupling.

  14. Phase Diagram of the Two-Chain Hubbard Model

    NASA Technical Reports Server (NTRS)

    Park, Youngho; Liang, Shoudan; Lee, T. K.

    1999-01-01

    We have calculated the charge gap and spin gap for the two-chain Hubbard model as a function of the on-site Coulomb interaction and the interchain hopping amplitude. We used the density matrix renormalization group method and developed a method to calculate separately the gaps numerically for the symmetric and antisymmetric modes with respect to the exchange of the chain indices. We have found very different behaviors for the weak and strong interaction cases. Our calculated phase diagram is compared to the one obtained by Balents and Fisher using the weak coupling renormalization group technique.

  15. Capturing nonlocal interaction effects in the Hubbard model: Optimal mappings and limits of applicability

    NASA Astrophysics Data System (ADS)

    van Loon, E. G. C. P.; Schüler, M.; Katsnelson, M. I.; Wehling, T. O.

    2016-10-01

    We investigate the Peierls-Feynman-Bogoliubov variational principle to map Hubbard models with nonlocal interactions to effective models with only local interactions. We study the renormalization of the local interaction induced by nearest-neighbor interaction and assess the quality of the effective Hubbard models in reproducing observables of the corresponding extended Hubbard models. We compare the renormalization of the local interactions as obtained from numerically exact determinant quantum Monte Carlo to approximate but more generally applicable calculations using dual boson, dynamical mean field theory, and the random phase approximation. These more approximate approaches are crucial for any application with real materials in mind. Furthermore, we use the dual boson method to calculate observables of the extended Hubbard models directly and benchmark these against determinant quantum Monte Carlo simulations of the effective Hubbard model.

  16. Hubbard Model Approach to X-ray Spectroscopy

    NASA Astrophysics Data System (ADS)

    Ahmed, Towfiq

    We have implemented a Hubbard model based first-principles approach for real-space calculations of x-ray spectroscopy, which allows one to study excited state electronic structure of correlated systems. Theoretical understanding of many electronic features in d and f electron systems remains beyond the scope of conventional density functional theory (DFT). In this work our main effort is to go beyond the local density approximation (LDA) by incorporating the Hubbard model within the real-space multiple-scattering Green's function (RSGF) formalism. Historically, the first theoretical description of correlated systems was published by Sir Neville Mott and others in 1937. They realized that the insulating gap and antiferromagnetism in the transition metal oxides are mainly caused by the strong on-site Coulomb interaction of the localized unfilled 3d orbitals. Even with the recent progress of first principles methods (e.g. DFT) and model Hamiltonian approaches (e.g., Hubbard-Anderson model), the electronic description of many of these systems remains a non-trivial combination of both. X-ray absorption near edge spectra (XANES) and x-ray emission spectra (XES) are very powerful spectroscopic probes for many electronic features near Fermi energy (EF), which are caused by the on-site Coulomb interaction of localized electrons. In this work we focus on three different cases of many-body effects due to the interaction of localized d electrons. Here, for the first time, we have applied the Hubbard model in the real-space multiple scattering (RSGF) formalism for the calculation of x-ray spectra of Mott insulators (e.g., NiO and MnO). Secondly, we have implemented in our RSGF approach a doping dependent self-energy that was constructed from a single-band Hubbard model for the over doped high-T c cuprate La2-xSrxCuO4. Finally our RSGF calculation of XANES is calculated with the spectral function from Lee and Hedin's charge transfer satellite model. For all these cases our

  17. Entanglement structure of the Hubbard model in momentum space

    NASA Astrophysics Data System (ADS)

    Ehlers, G.; Sólyom, J.; Legeza, Ö.; Noack, R. M.

    2015-12-01

    We study the properties of the ground states of the one- and two-dimensional Hubbard models at half-filling and moderate doping using entanglement-based measures, which we calculate numerically using the momentum-space density matrix renormalization group (DMRG). In particular, we investigate quantities such as the single-site entropy and two-site mutual information of single-particle momentum states as well as the behavior of the bipartite subsystem entropy for partitions in momentum space. The distribution of these quantities in momentum space gives insight into the fundamental nature of the ground state, insight that can be used to make contact with weak-coupling-based analytic approaches and to optimize numerical methods, the momentum-space DMRG in particular. We study the site and subsystem entropies as a function of interaction strength U and system size. In both the one- and two-dimensional cases, we find that the subsystem entropy scales proportionally to U2 for weak U and proportionally to volume. Nevertheless, the optimized momentum-space DMRG can provide variationally accurate results for the two-dimensional Hubbard model at weak coupling for moderate system sizes.

  18. Dynamics of holes in the extended Hubbard model

    NASA Astrophysics Data System (ADS)

    Sherman, A. V.

    1992-09-01

    The strong-correlation limit of the extended Hubbard model of plane cuprate perovskites is considered for two ratios of material parameters allowed by the uncertainty of their known values: the Cu-O electron promotion energy is of the order of the Cu-O hybridization at a negligibly small Hubbard repulsion on oxygen sites and the hybridization is much smaller than other energy parameters. By taking into account the antiferromagnetic ordering of lightly doped samples and using the spin-wave approximation, for these two cases effective Hamiltonians are obtained, in which charge and spin degrees of freedom are described by practically independent operators. On the basis of these Hamiltonians it is shown that the low-energy hole dynamics is essentially different in the two cases. In the latter case it can approximately be mapped on the one-band t-J model describing the movement of the Zhang-Rice singlet. However, essential deviations might arise if the oxygen and copper on-site repulsions were comparable. The Hamiltonian in the former case is intrinsically a two-band one which differs from the one-band Hamiltonian in shapes and widths of energy bands and in conditions of the formation of a ferromagnetically ordered region around a hole in the limit of large repulsions.

  19. General Hubbard Model for Fermions in an Optical Lattice

    NASA Astrophysics Data System (ADS)

    Kestner, Jason; Duan, Luming

    2009-03-01

    For two-component fermions in an optical lattice, an effective general Hubbard model (GHM) with tunable on-site attraction/repulsion and occupation-dependent hopping rates emerges from very general arguments [1]. This model is quite interesting, containing as special cases both the t-J and the XXZ models. However, the experimental range of applicability and the connection between the model parameters and the actual experimental parameters must be determined explicitly. To this end, we have used a stochastic variational approach with a correlated gaussian wavefunction to numerically find the eigenstates of two atoms interacting in a 3D few-well trap. By matching the few-site spectrum of the GHM to the variational spectrum obtained, the validity of the model and the relationship between experimental and model parameters are determined. [1] L.-M. Duan, Euro. Phys. Lett. 81, 20001 (2008).

  20. Generalized slave-particle method for extended Hubbard models

    NASA Astrophysics Data System (ADS)

    Georgescu, Alexandru B.; Ismail-Beigi, Sohrab

    2015-12-01

    We introduce a set of generalized slave-particle models for extended Hubbard models that treat localized electronic correlations using slave-boson decompositions. Our models automatically include two slave-particle methods of recent interest, the slave-rotor and slave-spin methods, as well as a ladder of new intermediate models where one can choose which of the electronic degrees of freedom (e.g., spin or orbital labels) are treated as correlated degrees of freedom by the slave bosons. In addition, our method removes the aberrant behavior of the slave-rotor model, where it systematically overestimates the importance of electronic correlation effects for weak interaction strength, by removing the contribution of unphysical states from the bosonic Hilbert space. The flexibility of our formalism permits one to separate and isolate the effect of correlations on the key degrees of freedom.

  1. An exact sum-rule for the Hubbard model: an historical/pedagogical approach

    NASA Astrophysics Data System (ADS)

    Di Matteo, S.; Claveau, Y.

    2017-07-01

    The aim of the present article is to derive an exact integral equation for the Green function of the Hubbard model through an equation-of-motion procedure, like in the original Hubbard papers. Though our exact integral equation does not allow to solve the Hubbard model, it represents a strong constraint on its approximate solutions. An analogous sum rule has been already obtained in the literature, through the use of a spectral moment technique. We think however that our equation-of-motion procedure can be more easily related to the historical procedure of the original Hubbard papers. We also discuss examples of possible applications of the sum rule and propose and analyse a solution, fulfilling it, that can be used for a pedagogical introduction to the Mott-Hubbard metal-insulator transition.

  2. Ground State Energy of the Low Density Hubbard Model

    NASA Astrophysics Data System (ADS)

    Seiringer, Robert; Yin, Jun

    2008-06-01

    We derive a lower bound on the ground state energy of the Hubbard model for given value of the total spin. In combination with the upper bound derived previously by Giuliani (J. Math. Phys. 48:023302, [2007]), our result proves that in the low density limit the leading order correction compared to the ground state energy of a non-interacting lattice Fermi gas is given by 8 π a ϱ u ϱ d , where ϱ u( d) denotes the density of the spin-up (down) particles, and a is the scattering length of the contact interaction potential. This result extends previous work on the corresponding continuum model to the lattice case.

  3. Bose-Hubbard models coupled to cavity light fields

    SciTech Connect

    Silver, A. O.; Bhaseen, M. J.; Simons, B. D.; Hohenadler, M.

    2010-02-15

    Recent experiments on strongly coupled cavity quantum electrodynamics present new directions in ''matter-light'' systems. Following on from our previous work [Phys. Rev. Lett. 102, 135301 (2009)] we investigate Bose-Hubbard models coupled to a cavity light field. We discuss the emergence of photoexcitations or 'polaritons' within the Mott phase, and obtain the complete variational phase diagram. Exploiting connections to the super-radiance transition in the Dicke model we discuss the nature of polariton condensation within this novel state. Incorporating the effects of carrier superfluidity, we identify a first-order transition between the super-radiant Mott phase and the single component atomic superfluid. The overall predictions of mean field theory are in excellent agreement with exact diagonalization and we provide details of superfluid fractions, density fluctuations, and finite size effects. We highlight connections to recent work on coupled cavity arrays.

  4. A review of Monte Carlo simulations for the Bose-Hubbard model with diagonal disorder

    NASA Astrophysics Data System (ADS)

    Pollet, Lode

    2013-10-01

    We review the physics of the Bose-Hubbard model with disorder in the chemical potential focusing on recently published analytical arguments in combination with quantum Monte Carlo simulations. Apart from the superfluid and Mott insulator phases that can occur in this system without disorder, disorder allows for an additional phase, called the Bose glass phase. The topology of the phase diagram is subject to strong theorems proving that the Bose Glass phase must intervene between the superfluid and the Mott insulator and implying a Griffiths transition between the Mott insulator and the Bose glass. The full phase diagrams in 3d and 2d are discussed, and we zoom in on the insensitivity of the transition line between the superfluid and the Bose glass in the close vicinity of the tip of the Mott insulator lobe. We briefly comment on the established and remaining questions in the 1d case, and give a short overview of numerical work on related models.

  5. Coulomb matrix elements in multi-orbital Hubbard models

    NASA Astrophysics Data System (ADS)

    Bünemann, Jörg; Gebhard, Florian

    2017-04-01

    Coulomb matrix elements are needed in all studies in solid-state theory that are based on Hubbard-type multi-orbital models. Due to symmetries, the matrix elements are not independent. We determine a set of independent Coulomb parameters for a d-shell and an f-shell and all point groups with up to 16 elements (O h , O, T d , T h , D 6h , and D 4h ). Furthermore, we express all other matrix elements as a function of the independent Coulomb parameters. Apart from the solution of the general point-group problem we investigate in detail the spherical approximation and first-order corrections to the spherical approximation.

  6. Nonthermal antiferromagnetic order and nonequilibrium criticality in the Hubbard model.

    PubMed

    Tsuji, Naoto; Eckstein, Martin; Werner, Philipp

    2013-03-29

    We study dynamical phase transitions from antiferromagnetic to paramagnetic states driven by an interaction quench in the fermionic Hubbard model using the nonequilibrium dynamical mean-field theory. We identify two dynamical transition points where the relaxation behavior qualitatively changes: one corresponds to the thermal phase transition at which the order parameter decays critically slowly in a power law ∝t(-1/2), and the other is connected to the existence of nonthermal antiferromagnetic order in systems with effective temperature above the thermal critical temperature. The frequency of the amplitude mode extrapolates to zero as one approaches the nonthermal (quasi)critical point, and thermalization is significantly delayed by the trapping in the nonthermal state. A slow relaxation of the nonthermal order is followed by a faster thermalization process.

  7. Finite-temperature phase transitions in the ionic Hubbard model

    NASA Astrophysics Data System (ADS)

    Kim, Aaram J.; Choi, M. Y.; Jeon, Gun Sang

    2014-04-01

    We investigate paramagnetic metal-insulator transitions in the infinite-dimensional ionic Hubbard model at finite temperatures. By means of the dynamical mean-field theory with an impurity solver of the continuous-time quantum Monte Carlo method, we show that an increase in the interaction strength brings about a crossover from a band insulating phase to a metallic one, followed by a first-order transition to a Mott insulating phase. The first-order transition turns into a crossover above a certain critical temperature, which becomes higher as the staggered lattice potential is increased. Further, analysis of the temperature dependence of the energy density discloses that the intermediate metallic phase is a Fermi liquid. It is also found that the metallic phase is stable against strong staggered potentials even at very low temperatures.

  8. EPR pairing dynamics in Hubbard model with resonant U

    PubMed Central

    Zhang, X. Z.; Song, Z.

    2016-01-01

    We study the dynamics of the collision between two fermions in Hubbard model with on-site interaction strength U. The exact solution shows that the scattering matrix for two-wavepacket collision is separable into two independent parts, operating on spatial and spin degrees of freedom, respectively. The S-matrix for spin configuration is equivalent to that of Heisenberg-type pulsed interaction with the strength depending on U and relative group velocity vr. This can be applied to create distant EPR pair, through a collision process for two fermions with opposite spins in the case of |vr/U| = 1, without the need for temporal control and measurement process. Multiple collision process for many particles is also discussed. PMID:26728282

  9. Collective modes in the paramagnetic phase of the Hubbard model

    NASA Astrophysics Data System (ADS)

    Dao, Vu Hung; Frésard, Raymond

    2017-04-01

    The charge dynamical response function of the Hubbard model is investigated on the square lattice in the thermodynamic limit. The obtained charge-excitation spectra consist of a continuum, a gapless collective mode with anisotropic zero-sound velocity, and a correlation-induced high-frequency mode at ω ≈U . The correlation function is calculated from Gaussian fluctuations around the paramagnetic saddle point within the Kotliar and Ruckenstein slave-boson representation. Its dependence on the on-site Coulomb repulsion U and density is studied in detail. An approximate analytical expression of the high-frequency mode, which holds for any lattice with one atom in the unit cell, is derived. Comparison with numerical simulations, perturbation theory, and the polarization potential theory is carried out. We also show that magnetic instabilities tend to vanish for T ≳t /6 , and finite-temperature phase diagrams are established.

  10. Charge diffusion in the one-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Steinigeweg, R.; Jin, F.; De Raedt, H.; Michielsen, K.; Gemmer, J.

    2017-08-01

    We study the real-time and real-space dynamics of charge in the one-dimensional Hubbard model in the limit of high temperatures. To this end, we prepare pure initial states with sharply peaked density profiles and calculate the time evolution of these nonequilibrium states, by using numerical forward-propagation approaches to chains as long as 20 sites. For a class of typical states, we find excellent agreement with linear-response theory and unveil the existence of remarkably clean charge diffusion in the regime of strong particle-particle interactions. We additionally demonstrate that, in the half-filling sector, this diffusive behavior does not depend on certain details of our initial conditions, i.e., it occurs for five different realizations with random and nonrandom internal degrees of freedom, single and double occupation of the central site, and displacement of spin-up and spin-down particles.

  11. Lanczos diagonalizations of the 1-D Peierls-Hubbard model

    SciTech Connect

    Loh, E.Y.; Campbell, D.K.; Gammel, J.T.

    1989-01-01

    In studies of interacting electrons in reduced dimensions'' one is trapped between the Scylla of exponential growth of the number of states in any exact many-body basis and the Charybdis of the failure of mean-field theories to capture adequately the effects of interactions. In the present article we focus on one technique -- the Lanczos method -- which, at least in the case of the 1-D Peierls-Hubbard model, appears to allow us to sail the narrow channel between these two hazards. In contrast to Quantum Monte Carlo methods, which circumvent the exponential growth of states by statistical techniques and importance sampling, the Lanczos approach attacks this problem head-on by diagonalizing the full Hamiltonian. Given the restrictions of present computers, this approach is thus limited to studying finite clusters of roughly 12--14 sites. Fortunately, in one dimension, such clusters are usually sufficient for extracting many of the properties of the infinite system provided that one makes full use of the ability to vary the boundary conditions. In this article we shall apply the Lanczos methodology and novel phase randomization'' techniques to study the 1-D Peierls-Hubbard model, with particular emphasis on the optical absorption properties, including the spectrum of absorptions as a function of photon energy. Despite the discreteness of the eigenstates in our finite clusters, we are able to obtain optical spectra that, in cases where independent tests can be made, agree well with the known exact results for the infinite system. Thus we feel that this combination of techniques represents an important and viable means of studying many interesting novel materials involving strongly correlated electrons. 26 refs., 6 figs.

  12. Three-band Hubbard model: A Monte Carlo study

    NASA Astrophysics Data System (ADS)

    Dopf, G.; Muramatsu, A.; Hanke, W.

    1990-05-01

    We have studied a two-dimensional multiband Hubbard model describing CuO2 sheets in the high-Tc oxides. The simulations were performed for a grand-canonical ensemble on lattice sizes up to 16 unit cells of three atoms each and temperatures down to kBT~t/30, where t is the Cu-O hybridization. For generally accepted values of the Hubbard coupling on the Cu sites Ud>~6t, two different regimes can be distinguished in the magnetic properties of the model. In the half-filled band case we see for Δ>Ud/2 (Δ=ɛp-ɛd being the charge-transfer energy) the formation of a correlation gap, as expected for a charge-transfer insulator. For Δ~4/t, although no phase transition to a superconducting state could be seen.

  13. Conductivite dans le modele de Hubbard bi-dimensionnel a faible couplage

    NASA Astrophysics Data System (ADS)

    Bergeron, Dominic

    Le modele de Hubbard bi-dimensionnel (2D) est souvent considere comme le modele minimal pour les supraconducteurs a haute temperature critique a base d'oxyde de cuivre (SCHT). Sur un reseau carre, ce modele possede les phases qui sont communes a tous les SCHT, la phase antiferromagnetique, la phase supraconductrice et la phase dite du pseudogap. Il n'a pas de solution exacte, toutefois, plusieurs methodes approximatives permettent d'etudier ses proprietes de facon numerique. Les proprietes optiques et de transport sont bien connues dans les SCHT et sont donc de bonne candidates pour valider un modele theorique et aider a comprendre mieux la physique de ces materiaux. La presente these porte sur le calcul de ces proprietes pour le modele de Hubbard 2D a couplage faible ou intermediaire. La methode de calcul utilisee est l'approche auto-coherente a deux particules (ACDP), qui est non-perturbative et inclue l'effet des fluctuations de spin et de charge a toutes les longueurs d'onde. La derivation complete de l'expression de la conductivite dans l'approche ACDP est presentee. Cette expression contient ce qu'on appelle les corrections de vertex, qui tiennent compte des correlations entre quasi-particules. Pour rendre possible le calcul numerique de ces corrections, des algorithmes utilisant, entre autres, des transformees de Fourier rapides et des splines cubiques sont developpes. Les calculs sont faits pour le reseau carre avec sauts aux plus proches voisins autour du point critique antiferromagnetique. Aux dopages plus faibles que le point critique, la conductivite optique presente une bosse dans l'infrarouge moyen a basse temperature, tel qu'observe dans plusieurs SCHT. Dans la resistivite en fonction de la temperature, on trouve un comportement isolant dans le pseudogap lorsque les corrections de vertex sont negligees et metallique lorsqu'elles sont prises en compte. Pres du point critique, la resistivite est lineaire en T a basse temperature et devient

  14. Quantum phase diagrams of the Jaynes–Cummings Hubbard models in non-rectangular lattices

    NASA Astrophysics Data System (ADS)

    Zhang, Jun; Jiang, Ying

    2017-03-01

    In this paper, we investigate systematically the quantum phase transition between the Mott-insulator and superfluid states of the Jaynes–Cummings Hubbard model in triangular, square, honeycomb and kagomé lattices. With the help of Green’s function method, by treating the hopping term in the Jaynes–Cummings Hubbard model as perturbation, we calculate the phase boundaries of Jaynes–Cummings Hubbard models on different geometrical lattices analytically up to second order for both detuning Δ =0 and Δ \

  15. Theory of ferrimagnetism in the Hubbard model on bipartite lattices with spectral symmetry

    NASA Astrophysics Data System (ADS)

    Xue, Yang; He, Jing; Zhang, Xing-Hai; Kou, Su-Peng

    2015-08-01

    The Hubbard model is one of the most important models in condensed matter physics. In this paper, we developed a theory of ferrimagnetism in the Hubbard model on bipartite lattices with spectral symmetry. By taking three models as examples, we studied the ferrimagnetic orders that emerge from three typical fermionic systems—metal, semi-metal and (Chern) insulator. In particular, we found that there may exist various ferrimagnetic orders and explored the universal features.

  16. Theory of ferrimagnetism in the Hubbard model on bipartite lattices with spectral symmetry.

    PubMed

    Xue, Yang; He, Jing; Zhang, Xing-Hai; Kou, Su-Peng

    2015-09-09

    The Hubbard model is one of the most important models in condensed matter physics. In this paper, we developed a theory of ferrimagnetism in the Hubbard model on bipartite lattices with spectral symmetry. By taking three models as examples, we studied the ferrimagnetic orders that emerge from three typical fermionic systems--metal, semi-metal and (Chern) insulator. In particular, we found that there may exist various ferrimagnetic orders and explored the universal features.

  17. Locating the quantum critical point of the Bose-Hubbard model through singularities of simple observables

    NASA Astrophysics Data System (ADS)

    Łącki, Mateusz; Damski, Bogdan; Zakrzewski, Jakub

    2016-12-01

    We show that the critical point of the two-dimensional Bose-Hubbard model can be easily found through studies of either on-site atom number fluctuations or the nearest-neighbor two-point correlation function (the expectation value of the tunnelling operator). Our strategy to locate the critical point is based on the observation that the derivatives of these observables with respect to the parameter that drives the superfluid-Mott insulator transition are singular at the critical point in the thermodynamic limit. Performing the quantum Monte Carlo simulations of the two-dimensional Bose-Hubbard model, we show that this technique leads to the accurate determination of the position of its critical point. Our results can be easily extended to the three-dimensional Bose-Hubbard model and different Hubbard-like models. They provide a simple experimentally-relevant way of locating critical points in various cold atomic lattice systems.

  18. Locating the quantum critical point of the Bose-Hubbard model through singularities of simple observables

    PubMed Central

    Łącki, Mateusz; Damski, Bogdan; Zakrzewski, Jakub

    2016-01-01

    We show that the critical point of the two-dimensional Bose-Hubbard model can be easily found through studies of either on-site atom number fluctuations or the nearest-neighbor two-point correlation function (the expectation value of the tunnelling operator). Our strategy to locate the critical point is based on the observation that the derivatives of these observables with respect to the parameter that drives the superfluid-Mott insulator transition are singular at the critical point in the thermodynamic limit. Performing the quantum Monte Carlo simulations of the two-dimensional Bose-Hubbard model, we show that this technique leads to the accurate determination of the position of its critical point. Our results can be easily extended to the three-dimensional Bose-Hubbard model and different Hubbard-like models. They provide a simple experimentally-relevant way of locating critical points in various cold atomic lattice systems. PMID:27910915

  19. Locating the quantum critical point of the Bose-Hubbard model through singularities of simple observables.

    PubMed

    Łącki, Mateusz; Damski, Bogdan; Zakrzewski, Jakub

    2016-12-02

    We show that the critical point of the two-dimensional Bose-Hubbard model can be easily found through studies of either on-site atom number fluctuations or the nearest-neighbor two-point correlation function (the expectation value of the tunnelling operator). Our strategy to locate the critical point is based on the observation that the derivatives of these observables with respect to the parameter that drives the superfluid-Mott insulator transition are singular at the critical point in the thermodynamic limit. Performing the quantum Monte Carlo simulations of the two-dimensional Bose-Hubbard model, we show that this technique leads to the accurate determination of the position of its critical point. Our results can be easily extended to the three-dimensional Bose-Hubbard model and different Hubbard-like models. They provide a simple experimentally-relevant way of locating critical points in various cold atomic lattice systems.

  20. Phase diagram of the half-filled ionic Hubbard model

    NASA Astrophysics Data System (ADS)

    Bag, Soumen; Garg, Arti; Krishnamurthy, H. R.

    2015-06-01

    We study the phase diagram of the ionic Hubbard model (IHM) at half filling on a Bethe lattice of infinite connectivity using dynamical mean-field theory (DMFT), with two impurity solvers, namely, iterated perturbation theory (IPT) and continuous time quantum Monte Carlo (CTQMC). The physics of the IHM is governed by the competition between the staggered ionic potential Δ and the on-site Hubbard U . We find that for a finite Δ and at zero temperature, long-range antiferromagnetic (AFM) order sets in beyond a threshold U =UA F via a first-order phase transition. For U smaller than UA F the system is a correlated band insulator. Both methods show a clear evidence for a quantum transition to a half-metal (HM) phase just after the AFM order is turned on, followed by the formation of an AFM insulator on further increasing U . We show that the results obtained within both methods have good qualitative and quantitative consistency in the intermediate-to-strong-coupling regime at zero temperature as well as at finite temperature. On increasing the temperature, the AFM order is lost via a first-order phase transition at a transition temperature TA F(U ,Δ ) [or, equivalently, on decreasing U below UA F(T ,Δ ) ], within both methods, for weak to intermediate values of U /t . In the strongly correlated regime, where the effective low-energy Hamiltonian is the Heisenberg model, IPT is unable to capture the thermal (Neel) transition from the AFM phase to the paramagnetic phase, but the CTQMC does. At a finite temperature T , DMFT +CTQMC shows a second phase transition (not seen within DMFT +IPT ) on increasing U beyond UA F. At UN>UA F , when the Neel temperature TN for the effective Heisenberg model becomes lower than T , the AFM order is lost via a second-order transition. For U ≫Δ , TN˜t2/U (1 -x2) , where x =2 Δ /U and thus TN increases with increase in Δ /U . In the three-dimensional parameter space of (U /t ,T /t ,andΔ /t ) , as T increases, the surface of first

  1. Ground-state phase diagram of the two-dimensional Bose-Hubbard model with anisotropic hopping

    NASA Astrophysics Data System (ADS)

    Schönmeier-Kromer, Janik; Pollet, Lode

    2014-02-01

    We compute the ground-state phase diagram of the two-dimensional (2D) Bose-Hubbard model with anisotropic hopping using quantum Monte Carlo simulations, connecting the one-dimensional (1D) to the 2D system. We find that the tip of the lobe lies on a curve controlled by the 1D limit over the full anisotropy range, while the universality class is always the same as in the isotropic 2D system. This behavior can be derived analytically from the lowest renormalization-group equations and has a shape typical for the underlying Kosterlitz-Thouless transition in one dimension. We also compute the phase boundary of the Mott lobe at unit density for strong anisotropy and compare it to the 1D system. Our calculations shed light on recent cold gas experiments monitoring the dynamics of an expanding cloud.

  2. Diffusion dynamics in the disordered Bose Hubbard model

    NASA Astrophysics Data System (ADS)

    Wadleigh, Laura; Russ, Philip; Demarco, Brian

    2016-05-01

    We explore the dynamics of diffusion for out-of-equilibrium superfluid, Mott insulator, and Bose glass states using an atomic realization of the disordered Bose Hubbard (DBH) model. Dynamics in strongly correlated systems, especially far from equilibrium, are not well understood. The introduction of disorder further complicates these systems. We realize the DBH model--which has been central to our understanding of quantum phase transitions in disordered systems--using ultracold Rubidium-87 atoms trapped in a cubic disordered optical lattice. By tightly focusing a beam into the center of the gas, we create a hole in the atomic density profile. We achieve Mott insulator, superfluid, or Bose glass states by varying the interaction and disorder strength, and measure the time evolution of the density profile after removing the central barrier. This allows us to infer diffusion rates from the velocities at the edge of the hole and to look for signatures of superfluid puddles in the Bose glass state. We acknowledge funding from NSF Grant PHY 15-05468, NSF Grant DGE-1144245, and ARO Grant W911NF-12-1-0462.

  3. Bose-Hubbard model with localized particle losses

    NASA Astrophysics Data System (ADS)

    Kepesidis, Kosmas V.; Hartmann, Michael J.

    2012-06-01

    We consider the Bose-Hubbard model with particle losses at one lattice site. For the noninteracting case, we find that half of the bosons of an initially homogeneous particle distribution are not affected by dissipation that only acts on one lattice site in the center of the lattice. A physical interpretation of this result is that the surviving particles interfere destructively when they tunnel to the location of the dissipative defect and therefore never reach it. Furthermore we find for a one-dimensional model that a fraction of the particles can propagate across the dissipative defect even if the rate of tunneling between adjacent lattice sites is much slower than the loss rate at the defect. We analyze the robustness of our findings with respect to small interactions and small deviations from the symmetric setting. A possible experimental realization of our setup is provided by ultracold bosonic atoms in an optical lattice, where an electron beam on a single lattice site ionizes atoms that are then extracted by an electrostatic field.

  4. Superconductivity from doublon condensation in the ionic Hubbard model

    NASA Astrophysics Data System (ADS)

    Samanta, Abhisek; Sensarma, Rajdeep

    2016-12-01

    In the ionic Hubbard model, the on-site repulsion U , which drives a Mott insulator, and the ionic potential V , which drives a band insulator, compete with each other to open up a window of charge fluctuations when U ˜V . We study this model on square and cubic lattices in the limit of large U and V , with V ˜U . Using an effective Hamiltonian and a slave-boson approach with both doublons and holons, we find that the system undergoes a phase transition as a function of V from an antiferromagnetic Mott insulator to a paramagnetic insulator with strong singlet correlations, which is driven by a condensate of "neutral" doublon-holon pairs. On further increasing V , the system undergoes another phase transition to a superconducting phase driven by condensate of "charged" doublons and holons. The superfluid phase, characterized by the presence of a coherent (but gapped) fermionic quasiparticle and h c /e flux quantization, has a high Tc˜t , which shows a dome-shaped behavior as a function of V . The paramagnetic insulator phase has a deconfined U(1) gauge field and associated gapless photon excitations. We also discuss how these phases can be detected in the ultracold-atom context.

  5. From the Jaynes-Cummings-Hubbard to the Dicke model

    NASA Astrophysics Data System (ADS)

    Schmidt, S.; Blatter, G.; Keeling, J.

    2013-11-01

    We discuss the Jaynes-Cummings-Hubbard model describing the superfluid-Mott insulator transition of polaritons (i.e., dressed photon-qubit states) in coupled qubit-cavity arrays in the crossover from strong to weak correlations. In the strongly correlated regime the phase diagram and the elementary excitations of lattice polaritons near the Mott lobes are calculated analytically using a slave-boson theory (SBT). The opposite regime of weakly interacting polariton superfluids is described by a weak-coupling mean-field theory for a generalized multi-mode Dicke model. We show that a remarkable relation between the two theories exists in the limit of large photon bandwidth and large negative detuning, i.e., when the nature of polariton quasiparticles becomes qubit-like. In this regime, the weak-coupling theory predicts the existence of a single Mott lobe with a change of the universality class of the phase transition at the tip of the lobe, in perfect agreement with the SBT. Moreover, the spectra of low energy excitations, i.e., the sound velocity of the Goldstone mode and the gap of the amplitude mode match exactly as calculated from both theories.

  6. Charge ordering and correlation effects in the extended Hubbard model

    NASA Astrophysics Data System (ADS)

    Terletska, Hanna; Chen, Tianran; Gull, Emanuel

    2017-03-01

    We study the half-filled extended Hubbard model on a two-dimensional square lattice using cluster dynamical mean-field theory on clusters of size 8-20. We show that the model exhibits metallic, Mott-insulating, and charge-ordered phases, and determine the location of the charge-ordering phase-transition line and the properties of the phases as a function of temperature, local interaction, and nearest-neighbor interaction. We find strong nonlocal correlations outside the charge-ordered phase and a pronounced screening effect in the vicinity of the phase transition, where nonlocal interactions push the system towards metallic behavior. In contrast, correlations in the charge-ordered phase are mostly local to the unit cell. Finally, we demonstrate how strong nonlocal electron-electron interactions can increase electron mobility by turning a charge-ordered insulator into a metal. We analyze finite-size effects and the convergence of our data to the thermodynamic limit. Control of all sources of errors allows us to assess the regime of applicability of simpler approximation schemes for systems with nonlocal interactions.

  7. Semiclassical analysis of the Bogoliubov spectrum in the Bose-Hubbard model

    SciTech Connect

    Kolovsky, Andrey R.

    2007-08-15

    We analyze the Bogoliubov spectrum of the Bose-Hubbard model with a finite number of sites and Bose particles by using a semiclassical approach. This approach allows us to take into account the finite-size effects responsible for evolution of the Bogoliubov spectrum into an irregular (chaotic) spectrum at higher energies. A manifestation of this transition for the excitation dynamics of the Bose-Hubbard system is discussed as well.

  8. Semiclassical analysis of the Bogoliubov spectrum in the Bose-Hubbard model.

    PubMed

    Kolovsky, Andrey R

    2007-08-01

    We analyze the Bogoliubov spectrum of the Bose-Hubbard model with a finite number of sites and Bose particles by using a semiclassical approach. This approach allows us to take into account the finite-size effects responsible for evolution of the Bogoliubov spectrum into an irregular (chaotic) spectrum at higher energies. A manifestation of this transition for the excitation dynamics of the Bose-Hubbard system is discussed as well.

  9. Competing pairing channels in the doped honeycomb lattice Hubbard model

    NASA Astrophysics Data System (ADS)

    Xu, Xiao Yan; Wessel, Stefan; Meng, Zi Yang

    2016-09-01

    Proposals for superconductivity emerging from correlated electrons in the doped Hubbard model on the honeycomb lattice range from chiral d +i d singlet to p +i p triplet pairing, depending on the considered range of doping and interaction strength, as well as the approach used to analyze the pairing instabilities. Here, we consider these scenarios using large-scale dynamic cluster approximation (DCA) calculations to examine the evolution in the leading pairing symmetry from weak to intermediate coupling strength. These calculations focus on doping levels around the van Hove singularity (VHS) and are performed using DCA simulations with an interaction-expansion continuous-time quantum Monte Carlo cluster solver. We calculated explicitly the temperature dependence of different uniform superconducting pairing susceptibilities and found a consistent picture emerging upon gradually increasing the cluster size: while at weak coupling the d +i d singlet pairing dominates close to the VHS filling, an enhanced tendency towards p -wave triplet pairing upon further increasing the interaction strength is observed. The relevance of these systematic results for existing proposals and ongoing pursuits of odd-parity topological superconductivity are also discussed.

  10. Negative isotope effect in Hubbard-Holstein model

    NASA Astrophysics Data System (ADS)

    Wang, Da

    In phonon mediated conventional s-wave superconductors, higher-frequency phonon (or smaller atomic mass) leads to a higher superconducting transition temperature, known as the isotope effect. However, in correlated systems, various competing electronic order (such as spin-density-wave, charge-density-wave, and unconventional superconductivity) arises and the effect of electron-phonon coupling on these orders is a long-standing problem. Using the functional renormalization group, here we investigated the interplay between the electron correlation and electron-phonon coupling in the Hubbard-Holstein model on a square lattice. At half-filling, we found spin-density-wave and charge-density-wave phases and the transition between them, while no superconducting phase arises. Upon finite doping, d-wave/s-wave superconductivity emerges in proximity to the spin-density-wave/charge-density-wave phase. Surprisingly, lower-frequency Holstein phonons are either less destructive or even beneficial to the various phases, resulting in a negative isotope effect. For the superconducting phases, such an effect is apparently beyond the Bardeen-Cooper-Schrieffer theory.

  11. Dispersive excitations in one-dimensional ionic Hubbard model

    NASA Astrophysics Data System (ADS)

    Hafez Torbati, M.; Drescher, Nils A.; Uhrig, Götz S.

    2014-06-01

    A detailed study of the one-dimensional ionic Hubbard model with interaction U is presented. We focus on the band insulating (BI) phase and the spontaneously dimerized insulating (SDI) phase which appears on increasing U. By a recently introduced continuous unitary transformation [H. Krull et al., Phys. Rev. B 86, 125113 (2012), 10.1103/PhysRevB.86.125113] we are able to describe the system even close to the phase transition from BI to SDI although the bare perturbative series diverges before the transition is reached. First, the dispersion of single fermionic quasiparticles is determined in the full Brillouin zone. Second, we describe the binding phenomena between two fermionic quasiparticles leading to an S =0 and to an S =1 exciton. The latter corresponds to the lowest spin excitation and defines the spin gap which remains finite through the transition from BI to SDI. The former becomes soft at the transition, indicating that the SDI corresponds to a condensate of these S =0 excitons. This view is confirmed by a BCS mean-field theory for the SDI phase.

  12. Enhancement of superexchange pairing in the periodically driven Hubbard model

    NASA Astrophysics Data System (ADS)

    Coulthard, J. R.; Clark, S. R.; Al-Assam, S.; Cavalleri, A.; Jaksch, D.

    2017-08-01

    Recent experiments performed on cuprates and alkali-doped fullerides have demonstrated that key signatures of superconductivity can be induced above the equilibrium critical temperature by optical modulation. These observations in disparate physical systems may indicate a general underlying mechanism. Multiple theories have been proposed, but these either consider specific features, such as competing instabilities, or focus on conventional BCS-type superconductivity. Here we show that periodic driving can enhance electron pairing in strongly correlated systems. Focusing on the strongly repulsive limit of the doped Hubbard model, we investigate in-gap, spatially inhomogeneous, on-site modulations. We demonstrate that such modulations substantially reduce electronic hopping, while simultaneously sustaining superexchange interactions and pair hopping via driving-induced virtual charge excitations. We calculate real-time dynamics for the one-dimensional case, starting from zero- and finite-temperature initial states, and we show that enhanced singlet-pair correlations emerge quickly and robustly in the out-of-equilibrium many-body state. Our results reveal a fundamental pairing mechanism that might underpin optically induced superconductivity in some strongly correlated quantum materials.

  13. Attractive Hubbard model: Homogeneous Ginzburg–Landau expansion and disorder

    SciTech Connect

    Kuchinskii, E. Z. Kuleeva, N. A.; Sadovskii, M. V.

    2016-02-15

    We derive a Ginzburg–Landau (GL) expansion in the disordered attractive Hubbard model within the combined Nozieres–Schmitt-Rink and DMFT+Σ approximation. Restricting ourselves to the homogeneous expansion, we analyze the disorder dependence of GL expansion coefficients for a wide range of attractive potentials U, from the weak BCS coupling region to the strong-coupling limit, where superconductivity is described by Bose–Einstein condensation (BEC) of preformed Cooper pairs. We show that for the a semielliptic “bare” density of states of the conduction band, the disorder influence on the GL coefficients A and B before quadratic and quartic terms of the order parameter, as well as on the specific heat discontinuity at the superconducting transition, is of a universal nature at any strength of the attractive interaction and is related only to the general widening of the conduction band by disorder. In general, disorder growth increases the values of the coefficients A and B, leading either to a suppression of the specific heat discontinuity (in the weak-coupling limit), or to its significant growth (in the strong-coupling region). However, this behavior actually confirms the validity of the generalized Anderson theorem, because the disorder dependence of the superconducting transition temperature T{sub c}, is also controlled only by disorder widening of the conduction band (density of states).

  14. Attractive Hubbard model with disorder and the generalized Anderson theorem

    SciTech Connect

    Kuchinskii, E. Z. Kuleeva, N. A. Sadovskii, M. V.

    2015-06-15

    Using the generalized DMFT+Σ approach, we study the influence of disorder on single-particle properties of the normal phase and the superconducting transition temperature in the attractive Hubbard model. A wide range of attractive potentials U is studied, from the weak coupling region, where both the instability of the normal phase and superconductivity are well described by the BCS model, to the strong-coupling region, where the superconducting transition is due to Bose-Einstein condensation (BEC) of compact Cooper pairs, formed at temperatures much higher than the superconducting transition temperature. We study two typical models of the conduction band with semi-elliptic and flat densities of states, respectively appropriate for three-dimensional and two-dimensional systems. For the semi-elliptic density of states, the disorder influence on all single-particle properties (e.g., density of states) is universal for an arbitrary strength of electronic correlations and disorder and is due to only the general disorder widening of the conduction band. In the case of a flat density of states, universality is absent in the general case, but still the disorder influence is mainly due to band widening, and the universal behavior is restored for large enough disorder. Using the combination of DMFT+Σ and Nozieres-Schmitt-Rink approximations, we study the disorder influence on the superconducting transition temperature T{sub c} for a range of characteristic values of U and disorder, including the BCS-BEC crossover region and the limit of strong-coupling. Disorder can either suppress T{sub c} (in the weak-coupling region) or significantly increase T{sub c} (in the strong-coupling region). However, in all cases, the generalized Anderson theorem is valid and all changes of the superconducting critical temperature are essentially due to only the general disorder widening of the conduction band.

  15. Quantum simulation of the Hubbard model with dopant atoms in silicon

    PubMed Central

    Salfi, J.; Mol, J. A.; Rahman, R.; Klimeck, G.; Simmons, M. Y.; Hollenberg, L. C. L.; Rogge, S.

    2016-01-01

    In quantum simulation, many-body phenomena are probed in controllable quantum systems. Recently, simulation of Bose–Hubbard Hamiltonians using cold atoms revealed previously hidden local correlations. However, fermionic many-body Hubbard phenomena such as unconventional superconductivity and spin liquids are more difficult to simulate using cold atoms. To date the required single-site measurements and cooling remain problematic, while only ensemble measurements have been achieved. Here we simulate a two-site Hubbard Hamiltonian at low effective temperatures with single-site resolution using subsurface dopants in silicon. We measure quasi-particle tunnelling maps of spin-resolved states with atomic resolution, finding interference processes from which the entanglement entropy and Hubbard interactions are quantified. Entanglement, determined by spin and orbital degrees of freedom, increases with increasing valence bond length. We find separation-tunable Hubbard interaction strengths that are suitable for simulating strongly correlated phenomena in larger arrays of dopants, establishing dopants as a platform for quantum simulation of the Hubbard model. PMID:27094205

  16. Quantum simulation of the Hubbard model with dopant atoms in silicon.

    PubMed

    Salfi, J; Mol, J A; Rahman, R; Klimeck, G; Simmons, M Y; Hollenberg, L C L; Rogge, S

    2016-04-20

    In quantum simulation, many-body phenomena are probed in controllable quantum systems. Recently, simulation of Bose-Hubbard Hamiltonians using cold atoms revealed previously hidden local correlations. However, fermionic many-body Hubbard phenomena such as unconventional superconductivity and spin liquids are more difficult to simulate using cold atoms. To date the required single-site measurements and cooling remain problematic, while only ensemble measurements have been achieved. Here we simulate a two-site Hubbard Hamiltonian at low effective temperatures with single-site resolution using subsurface dopants in silicon. We measure quasi-particle tunnelling maps of spin-resolved states with atomic resolution, finding interference processes from which the entanglement entropy and Hubbard interactions are quantified. Entanglement, determined by spin and orbital degrees of freedom, increases with increasing valence bond length. We find separation-tunable Hubbard interaction strengths that are suitable for simulating strongly correlated phenomena in larger arrays of dopants, establishing dopants as a platform for quantum simulation of the Hubbard model.

  17. Staggered Flux State in Two-Dimensional Hubbard Models

    NASA Astrophysics Data System (ADS)

    Yokoyama, Hisatoshi; Tamura, Shun; Ogata, Masao

    2016-12-01

    The stability and other properties of a staggered flux (SF) state or a correlated d-density wave state are studied for the Hubbard (t-t'-U) model on extended square lattices, as a low-lying state that competes with the dx2 - y2-wave superconductivity (d-SC) and possibly causes the pseudogap phenomena in underdoped high-Tc cuprates and organic κ-BEDT-TTF salts. In calculations, a variational Monte Carlo method is used. In the trial wave function, a configuration-dependent phase factor, which is vital to treat a current-carrying state for a large U/t, is introduced in addition to ordinary correlation factors. Varying U/t, t'/t, and the doping rate (δ) systematically, we show that the SF state becomes more stable than the normal state (projected Fermi sea) for a strongly correlated (U/t ≳ 5) and underdoped (δ ≲ 0.16) area. The decrease in energy is sizable, particularly in the area where Mott physics prevails and the circular current (order parameter) is strongly suppressed. These features are consistent with those for the t-J model. The effect of the frustration t'/t plays a crucial role in preserving charge homogeneity and appropriately describing the behavior of hole- and electron-doped cuprates and κ-BEDT-TTF salts. We argue that the SF state does not coexist with d-SC and is not a "normal state" from which d-SC arises. We also show that a spin current (flux or nematic) state is never stabilized in the same regime.

  18. Emergent lattices with geometrical frustration in doped extended Hubbard models

    NASA Astrophysics Data System (ADS)

    Kaneko, Ryui; Tocchio, Luca F.; Valentí, Roser; Gros, Claudius

    2016-11-01

    Spontaneous charge ordering occurring in correlated systems may be considered as a possible route to generate effective lattice structures with unconventional couplings. For this purpose we investigate the phase diagram of doped extended Hubbard models on two lattices: (i) the honeycomb lattice with on-site U and nearest-neighbor V Coulomb interactions at 3 /4 filling (n =3 /2 ) and (ii) the triangular lattice with on-site U , nearest-neighbor V , and next-nearest-neighbor V' Coulomb interactions at 3 /8 filling (n =3 /4 ). We consider various approaches including mean-field approximations, perturbation theory, and variational Monte Carlo. For the honeycomb case (i), charge order induces an effective triangular lattice at large values of U /t and V /t , where t is the nearest-neighbor hopping integral. The nearest-neighbor spin exchange interactions on this effective triangular lattice are antiferromagnetic in most of the phase diagram, while they become ferromagnetic when U is much larger than V . At U /t ˜(V/t ) 3 , ferromagnetic and antiferromagnetic exchange interactions nearly cancel out, leading to a system with four-spin ring-exchange interactions. On the other hand, for the triangular case (ii) at large U and finite V', we find no charge order for small V , an effective kagome lattice for intermediate V , and one-dimensional charge order for large V . These results indicate that Coulomb interactions induce [case (i)] or enhance [case(ii)] emergent geometrical frustration of the spin degrees of freedom in the system, by forming charge order.

  19. Some Properties of the Positive-U and Negative-U Hubbard Model

    NASA Astrophysics Data System (ADS)

    Mancini, F.; Marinaro, M.; Matsumoto, H.

    In this article we review the properties of the 2D Hubbard model by considering at the same time the cases of repulsive and attractive interaction. The paramagnetic solution is studied by means of the composite operator method in the static approximation for the case of half-filling. Some properties of the two models, as the double occupancy and the spin magnetic susceptibility, are calculated for various values of interaction and temperature and compared. In particular, the different role played by thermal fluctuations is analyzed. Analytical and numerical calculations show that there is a critical value of the interaction, Uc, where the system exhibits a metal-insulator transition. At zero temperature it is found that Uc=-W for the negative-U model and Uc≈1.68W for the positive-U model, where W is the band width. At zero temperature, when the strength of the attractive interaction equals the band width, the system exhibits a phase transition to a pair state, where all the electrons are locally paired. The temperature Tp which controls the crossover to the pair state is calculated as a function of U. For strong attractive interaction χ0 is strongly depressed; increases by increasing T and tends to zero as T→TP.

  20. Universal stochastic series expansion algorithm for Heisenberg model and Bose-Hubbard model with interaction.

    PubMed

    Zyubin, M V; Kashurnikov, V A

    2004-03-01

    We propose a universal stochastic series expansion (SSE) method for the simulation of the Heisenberg model with arbitrary spin and the Bose-Hubbard model with interaction. We report the calculations involving soft-core bosons with interaction by the SSE method. Moreover, we develop a simple procedure for increased efficiency of the algorithm. From calculation of integrated autocorrelation times we conclude that the method is efficient for both models and essentially eliminates the critical slowing down problem.

  1. Quantum spin liquid in a π flux triangular lattice Hubbard model

    NASA Astrophysics Data System (ADS)

    Rachel, Stephan; Laubach, Manuel; Reuther, Johannes; Thomale, Ronny

    2015-03-01

    We propose the π flux triangular lattice Hubbard model (π-THM) as a prototypical setup to stabilize magnetically disordered quantum states of matter in the presence of charge fluctuations. The quantum paramagnetic domain of the π-THM which we identify for intermediate Hubbard U is framed by a Dirac semi-metal for weak coupling and by 120° Neel order for strong coupling. Generalizing the Klein duality from spin Hamiltonians to tight-binding models, the π-THM maps to a Hubbard model which corresponds to the (JH ,JK) = (- 1 , 2) Heisenberg-Kitaev model in its strong coupling limit. The π-THM provides a promising microscopic testing ground for exotic finite- U spin liquid ground states amenable to numerical investigation.

  2. Hund's coupling and the metal-insulator transition in the two-band Hubbard model

    NASA Astrophysics Data System (ADS)

    Pruschke, Th.; Bulla, R.

    2005-03-01

    The Mott-Hubbard metal-insulator transition is investigated in a two-band Hubbard model within dynamical mean-field theory. To this end, we use a suitable extension of Wilson’s numerical renormalization group for the solution of the effective two-band single-impurity Anderson model. This method is non-perturbative and, in particular, allows to take into account the full exchange part of the Hund’s rule coupling between the two orbitals. We discuss in detail the influence of the various Coulomb interactions on thermodynamic and dynamic properties, for both the impurity and the lattice model. The exchange part of the Hund’s rule coupling turns out to play an important role for the physics of the two-band Hubbard model and for the nature of the Mott-transition.

  3. Mechanism of hole attraction in the extended Hubbard model

    NASA Astrophysics Data System (ADS)

    Sherman, A. V.

    1993-05-01

    The expansion in the Cu-O hybridization energy, t, usually used for the simplification of the extended Hubbard Hamiltonian, is shown to meet with difficulties for the known parameters of CuO2 planes of cuprate perovskites. An expansion in a power series in λt, λ~=0.1, is suggested, which is applicable for these values of parameters and in which the Hubbard repulsion and the Cu-O hybridization are considered on an equal footing. A Hamiltonian obtained with the help of the expansion for the lower part of the energy spectrum, is equivalent to the t-J Hamiltonian and the corresponding states are some generalizations of the Zhang-Rice singlets. The Hamiltonian contains terms describing a static attraction between holes and for reasonable sets of parameters the attraction is approximately equal to a half of the superexchange constant.

  4. Multiband effects and the Bose-Hubbard model in one-dimensional lattices

    NASA Astrophysics Data System (ADS)

    Xu, Wei; Olshanii, Maxim; Rigol, Marcos

    2016-09-01

    We study phase diagrams of one-dimensional bosons with contact interactions in the presence of a lattice. We use the worm algorithm in continuous space and focus on the incommensurate superfluid-Mott-insulator transition. Our results are compared to those from the one-band Bose-Hubbard model. When Wannier states are used to determine the Bose-Hubbard model parameters, the comparison unveils an apparent breakdown of the one-band description for strong interactions, even for the Mott-insulating state with an average of one particle per site (n =1 ) in deep lattices. We introduce an inverse confined scattering analysis to obtain the ratio U /J , with which the Bose-Hubbard model provides correct results for strong interactions, deep lattices, and n =1 .

  5. Physical properties of the half-filled Hubbard model in infinite dimensions

    SciTech Connect

    Georges, A. ); Krauth, W. )

    1993-09-01

    A detailed quantitative study of the physical properties of the infinite-dimensional Hubbard model at half filling is presented. The method makes use of an exact mapping onto a single-impurity model supplemented by a self-consistency condition. This coupled problem is solved numerically. Results for thermodynamic quantities (specific heat, entropy, . . .), one-particle spectral properties, and magnetic properties (response to a uniform magnetic field) are presented and discussed. The nature of the Mott-Hubbard metal-insulator transition found in this model is investigated. A numerical solution of the mean-field equations [ital inside] the antiferromagnetic phase is also reported.

  6. Interaction effect in the Kondo energy of the periodic Anderson-Hubbard model

    NASA Astrophysics Data System (ADS)

    Itai, K.; Fazekas, P.

    1996-07-01

    We extend the periodic Anderson model by switching on a Hubbard U for the conduction band. The nearly integral valent limit of the Anderson-Hubbard model is studied with the Gutzwiller variational method. The lattice Kondo energy shows U dependence both in the prefactor and the exponent. Switching on U reduces the Kondo scale, which can be understood to result from the blocking of hybridization. At half filling, we find a Brinkman-Rice-type transition from a Kondo insulator to a Mott insulator. Our findings should be relevant for a number of correlated two-band models of recent interest.

  7. WFR-2D: an analytical model for PWAS-generated 2D ultrasonic guided wave propagation

    NASA Astrophysics Data System (ADS)

    Shen, Yanfeng; Giurgiutiu, Victor

    2014-03-01

    This paper presents WaveFormRevealer 2-D (WFR-2D), an analytical predictive tool for the simulation of 2-D ultrasonic guided wave propagation and interaction with damage. The design of structural health monitoring (SHM) systems and self-aware smart structures requires the exploration of a wide range of parameters to achieve best detection and quantification of certain types of damage. Such need for parameter exploration on sensor dimension, location, guided wave characteristics (mode type, frequency, wavelength, etc.) can be best satisfied with analytical models which are fast and efficient. The analytical model was constructed based on the exact 2-D Lamb wave solution using Bessel and Hankel functions. Damage effects were inserted in the model by considering the damage as a secondary wave source with complex-valued directivity scattering coefficients containing both amplitude and phase information from wave-damage interaction. The analytical procedure was coded with MATLAB, and a predictive simulation tool called WaveFormRevealer 2-D was developed. The wave-damage interaction coefficients (WDICs) were extracted from harmonic analysis of local finite element model (FEM) with artificial non-reflective boundaries (NRB). The WFR-2D analytical simulation results were compared and verified with full scale multiphysics finite element models and experiments with scanning laser vibrometer. First, Lamb wave propagation in a pristine aluminum plate was simulated with WFR-2D, compared with finite element results, and verified by experiments. Then, an inhomogeneity was machined into the plate to represent damage. Analytical modeling was carried out, and verified by finite element simulation and experiments. This paper finishes with conclusions and suggestions for future work.

  8. Testing the Monte Carlo-mean field approximation in the one-band Hubbard model

    NASA Astrophysics Data System (ADS)

    Mukherjee, Anamitra; Patel, Niravkumar D.; Dong, Shuai; Johnston, Steve; Moreo, Adriana; Dagotto, Elbio

    2014-11-01

    The canonical one-band Hubbard model is studied using a computational method that mixes the Monte Carlo procedure with the mean field approximation. This technique allows us to incorporate thermal fluctuations and the development of short-range magnetic order above ordering temperatures, contrary to the crude finite-temperature Hartree-Fock approximation, which incorrectly predicts a Néel temperature TN that grows linearly with the Hubbard U /t . The effective model studied here contains quantum and classical degrees of freedom. It thus belongs to the "spin fermion" model family widely employed in other contexts. Using exact diagonalization, supplemented by the traveling cluster approximation, for the fermionic sector, and classical Monte Carlo for the classical fields, the Hubbard U /t vs temperature T /t phase diagram is studied employing large three- and two-dimensional clusters. We demonstrate that the method is capable of capturing the formation of local moments in the normal state without long-range order, the nonmonotonicity of TN with increasing U /t , the development of gaps and pseudogaps in the density of states, and the two-peak structure in the specific heat. Extensive comparisons with determinant quantum Monte Carlo results suggest that the present approach is qualitatively, and often quantitatively, accurate, particularly at intermediate and high temperatures. Finally, we study the Hubbard model including plaquette diagonal hopping (i.e., the t -t' Hubbard model) in two dimensions and show that our approach allows us to study low-temperature properties where determinant quantum Monte Carlo fails due to the fermion sign problem. Future applications of this method include multiorbital Hubbard models such as those needed for iron-based superconductors.

  9. Communication: Generalization of Koopmans’ theorem to optical transitions in the Hubbard model of graphene nanodots

    SciTech Connect

    Sheng, Weidong; Luo, Kaikai; Zhou, Aiping

    2015-01-14

    Koopmans’ theorem implies that the Hartree-Fock quasiparticle gap in a closed-shell system is equal to its single-particle energy gap. In this work, the theorem is generalized to optical transitions in the Hubbard model of graphene nanodots. Based on systematic configuration interaction calculations, it is proposed that the optical gap of a closed-shell graphene system within the Hubbard model is equal to its tight-binding single-particle energy gap in the absence of electron correlation. In these systems, the quasiparticle energy gap and exciton binding energy are found to be dominated by the long-range Coulomb interaction, and thus, both become small when only on-site Hubbard interactions are present. Moreover, the contributions of the quasiparticle and excitonic effects to the optical gap are revealed to nearly cancel each other, which results in an unexpected overlap of the optical and single-particle gaps of the graphene systems.

  10. On the performance of natural orbital functional approximations in the Hubbard model

    NASA Astrophysics Data System (ADS)

    Mitxelena, I.; Piris, M.; Rodríguez-Mayorga, M.

    2017-10-01

    Strongly correlated materials are now under intense development, and natural orbital functional (NOF) methods seem to be able to capture the physics of these systems. We present a benchmark based on the Hubbard model for a class of commonly used NOF approximations (also known as reduced density matrix functional approximations). Our findings highlight the importance of imposing ensemble N-representability conditions in order to obtain consistent results in systems with either weak or strong electronic correlation, such as the Hubbard system with a varying two-particle interaction parameter. Based on the accuracy of the results obtained using PNOF7, which retrieves a large amount of the total strong nondynamic correlation, the Hubbard model points out that N-representability gives solid foundations for NOF development.

  11. Mott transition in the dynamic Hubbard model within slave boson mean-field approach

    NASA Astrophysics Data System (ADS)

    Le, Duc-Anh

    2014-04-01

    At zero temperature, the Kotliar-Ruckenstein slave boson mean-field approach is applied to the dynamic Hubbard model. In this paper, the influences of the dynamics of the auxiliary boson field on the Mott transition are investigated. At finite boson frequency, the Mott-type features of the Hubbard model is found to be enhanced by increasing the pseudospin coupling parameter g. For sufficiently large pseudospin coupling g, the Mott transition occurs even for modest values of the bare Hubbard interaction U. The lack of electron-hole symmetry is highlighted through the quasiparticle weight. Our results are in good agreement with the ones obtained by two-site dynamical mean-field theory and determinant quantum Monte Carlo simulation.

  12. Communication: generalization of Koopmans' theorem to optical transitions in the Hubbard model of graphene nanodots.

    PubMed

    Sheng, Weidong; Luo, Kaikai; Zhou, Aiping

    2015-01-14

    Koopmans' theorem implies that the Hartree-Fock quasiparticle gap in a closed-shell system is equal to its single-particle energy gap. In this work, the theorem is generalized to optical transitions in the Hubbard model of graphene nanodots. Based on systematic configuration interaction calculations, it is proposed that the optical gap of a closed-shell graphene system within the Hubbard model is equal to its tight-binding single-particle energy gap in the absence of electron correlation. In these systems, the quasiparticle energy gap and exciton binding energy are found to be dominated by the long-range Coulomb interaction, and thus, both become small when only on-site Hubbard interactions are present. Moreover, the contributions of the quasiparticle and excitonic effects to the optical gap are revealed to nearly cancel each other, which results in an unexpected overlap of the optical and single-particle gaps of the graphene systems.

  13. One-electron singular spectral features of the 1D Hubbard model at finite magnetic field

    NASA Astrophysics Data System (ADS)

    Carmelo, J. M. P.; Čadež, T.

    2017-01-01

    The momentum, electronic density, spin density, and interaction dependences of the exponents that control the (k , ω)-plane singular features of the σ = ↑ , ↓ one-electron spectral functions of the 1D Hubbard model at finite magnetic field are studied. The usual half-filling concepts of one-electron lower Hubbard band and upper Hubbard band are defined in terms of the rotated electrons associated with the model Bethe-ansatz solution for all electronic density and spin density values and the whole finite repulsion range. Such rotated electrons are the link of the non-perturbative relation between the electrons and the pseudofermions. Our results further clarify the microscopic processes through which the pseudofermion dynamical theory accounts for the one-electron matrix elements between the ground state and excited energy eigenstates.

  14. Quench dynamics and nonequilibrium phase diagram of the bose-hubbard model.

    PubMed

    Kollath, Corinna; Läuchli, Andreas M; Altman, Ehud

    2007-05-04

    We investigate the time evolution of correlations in the Bose-Hubbard model following a quench from the superfluid to the Mott insulator. For large values of the final interaction strength the system approaches a distinctly nonequilibrium steady state that bears strong memory of the initial conditions. In contrast, when the final interaction strength is comparable to the hopping, the correlations are rather well approximated by those at thermal equilibrium. The existence of two distinct nonequilibrium regimes is surprising given the nonintegrability of the Bose-Hubbard model. We relate this phenomenon to the role of quasiparticle interactions in the Mott insulator.

  15. Classical mapping for Hubbard operators: Application to the double-Anderson model

    SciTech Connect

    Li, Bin; Miller, William H.; Levy, Tal J.; Rabani, Eran

    2014-05-28

    A classical Cartesian mapping for Hubbard operators is developed to describe the nonequilibrium transport of an open quantum system with many electrons. The mapping of the Hubbard operators representing the many-body Hamiltonian is derived by using analogies from classical mappings of boson creation and annihilation operators vis-à-vis a coherent state representation. The approach provides qualitative results for a double quantum dot array (double Anderson impurity model) coupled to fermionic leads for a range of bias voltages, Coulomb couplings, and hopping terms. While the width and height of the conduction peaks show deviations from the master equation approach considered to be accurate in the limit of weak system-leads couplings and high temperatures, the Hubbard mapping captures all transport channels involving transition between many electron states, some of which are not captured by approximate nonequilibrium Green function closures.

  16. Renormalized parameters and perturbation theory in dynamical mean-field theory for the Hubbard model

    NASA Astrophysics Data System (ADS)

    Hewson, A. C.

    2016-11-01

    We calculate the renormalized parameters for the quasiparticles and their interactions for the Hubbard model in the paramagnetic phase as deduced from the low-energy Fermi-liquid fixed point using the results of a numerical renormalization-group calculation (NRG) and dynamical mean-field theory (DMFT). Even in the low-density limit there is significant renormalization of the local quasiparticle interaction U ˜, in agreement with estimates based on the two-particle scattering theory of J. Kanamori [Prog. Theor. Phys. 30, 275 (1963), 10.1143/PTP.30.275]. On the approach to the Mott transition we find a finite ratio for U ˜/D ˜ , where 2 D ˜ is the renormalized bandwidth, which is independent of whether the transition is approached by increasing the on-site interaction U or on increasing the density to half filling. The leading ω2 term in the self-energy and the local dynamical spin and charge susceptibilities are calculated within the renormalized perturbation theory (RPT) and compared with the results calculated directly from the NRG-DMFT. We also suggest, more generally from the DMFT, how an approximate expression for the q ,ω spin susceptibility χ (q ,ω ) can be derived from repeated quasiparticle scattering with a local renormalized scattering vertex.

  17. Superfluid to Mott-insulator transition in Bose-Hubbard models.

    PubMed

    Capello, Manuela; Becca, Federico; Fabrizio, Michele; Sorella, Sandro

    2007-08-03

    We study the superfluid-insulator transition in Bose-Hubbard models in one-, two-, and three-dimensional cubic lattices by means of a recently proposed variational wave function. In one dimension, the variational results agree with the expected Berezinskii-Kosterlitz-Thouless scenario of the interaction-driven Mott transition. In two and three dimensions, we find evidence that, across the transition, most of the spectral weight is concentrated at high energies, suggestive of preformed Mott-Hubbard sidebands. This result is compatible with the experimental data by Stoferle et al. [Phys. Rev. Lett. 92, 130403 (2004)].

  18. Spectral properties near the Mott transition in the one-dimensional Hubbard model.

    PubMed

    Kohno, Masanori

    2010-09-03

    The single-particle spectral properties near the Mott transition in the one-dimensional Hubbard model are investigated by using the dynamical density-matrix renormalization group method and the Bethe ansatz. The pseudogap, hole-pocket behavior, spectral-weight transfer, and upper Hubbard band are explained in terms of spinons, holons, antiholons, and doublons. The Mott transition is characterized by the emergence of a gapless mode whose dispersion relation extends up to the order of hopping t (spin exchange J) in the weak (strong) interaction regime caused by infinitesimal doping.

  19. Quantum Simulator for the Hubbard Model with Long-Range Coulomb Interactions Using Surface Acoustic Waves

    NASA Astrophysics Data System (ADS)

    Byrnes, Tim; Recher, Patrik; Kim, Na Young; Utsunomiya, Shoko; Yamamoto, Yoshihisa

    2007-07-01

    An experimental scheme for a quantum simulator of strongly correlated electrons is proposed. Our scheme employs electrons confined in a two-dimensional electron gas in a GaAs/AlGaAs heterojunction. Two surface acoustic waves are then induced in the substrate, creating a two-dimensional “egg-carton” potential. The dynamics of the electrons in this potential are described by a Hubbard model with long-range Coulomb interactions. Estimates of the Hubbard parameters suggest that observations of quantum phase transition phenomena are within experimental reach.

  20. Mott metal-insulator transition in the doped Hubbard-Holstein model

    NASA Astrophysics Data System (ADS)

    Kurdestany, Jamshid Moradi; Satpathy, S.

    2017-08-01

    Motivated by the current interest in the understanding of the Mott insulators away from half-filling, observed in many perovskite oxides, we study the Mott metal-insulator transition in the doped Hubbard-Holstein model using the Hartree-Fock mean field theory. The Hubbard-Holstein model is the simplest model containing both the Coulomb and the electron-lattice interactions, which are important ingredients in the physics of the perovskite oxides. In contrast to the half-filled Hubbard model, which always results in a single phase (either metallic or insulating), our results show that away from half-filling, a mixed phase of metallic and insulating regions occurs. As the dopant concentration is increased, the metallic part progressively grows in volume, until it exceeds the percolation threshold, leading to percolative conduction. This happens above a critical dopant concentration δc, which, depending on the strength of the electron-lattice interaction, can be a significant fraction of unity. This means that the material could be insulating even for a substantial amount of doping, in contrast to the expectation that doped holes would destroy the insulating behavior of the half-filled Hubbard model. While effects of fluctuation beyond the mean field remain an open question, our results provide a starting point for the understanding of the density-driven metal-insulator transition observed in many complex oxides.

  1. The Holstein-Hubbard model with Gaussian anharmonicity in one-dimension at half filling

    NASA Astrophysics Data System (ADS)

    Lavanya, Ch. Uma; Chatterjee, Ashok

    2016-05-01

    The Holstein-Hubbard model(HHM) with Gaussian anharmonicityis studied at half filling in one-dimension using a variational method based on a series of canonical transformations. It is shown that the anharmonicityincreases the width of the intermediate metallic phase at the SDW-CDW crossover region.

  2. Nature of ground states in one-dimensional electron-phonon Hubbard models at half filling

    NASA Astrophysics Data System (ADS)

    Bakrim, H.; Bourbonnais, C.

    2015-02-01

    The renormalization group technique is applied to one-dimensional electron-phonon Hubbard models at half filling and zero temperature. For the Holstein-Hubbard model, the results of one-loop calculations are congruent with the phase diagram obtained by quantum Monte Carlo simulations in the (U ,gph) plane for the phonon-mediated interaction gph and the Coulomb interaction U . The incursion of an intermediate phase between a fully gapped charge-density-wave state and a Mott antiferromagnet is supported along with the growth of its size with the molecular phonon frequency ω0. We find additional phases enfolding the base boundary of the intermediate phase. A Luttinger liquid line is found below some critical U*≈gph* , followed at larger U ˜gph by a narrow region of bond-order-wave ordering which is either charge or spin gapped depending on U . For the Peierls-Hubbard model, the region of the (U ,gph) plane with a fully gapped Peierls-bond-order-wave state shows a growing domination over the Mott gapped antiferromagnet as the Debye frequency ωD decreases. A power-law dependence gph˜U2 η is found to map out the boundary between the two phases, whose exponent is in good agreement with the existing quantum Monte Carlo simulations performed when a finite nearest-neighbor repulsion term V is added to the Hubbard interaction.

  3. The role of local repulsion in superconductivity in the Hubbard-Holstein model

    NASA Astrophysics Data System (ADS)

    Lin, Chungwei; Wang, Bingnan; Teo, Koon Hoo

    2017-01-01

    We examine the superconducting solution in the Hubbard-Holstein model using Dynamical Mean Field Theory. The Holstein term introduces the site-independent Boson fields coupling to local electron density, and has two competing influences on superconductivity: The Boson field mediates the effective electron-electron attraction, which is essential for the S-wave electron pairing; the same coupling to the Boson fields also induces the polaron effect, which makes the system less metallic and thus suppresses superconductivity. The Hubbard term introduces an energy penalty U when two electrons occupy the same site, which is expected to suppress superconductivity. By solving the Hubbard-Holstein model using Dynamical Mean Field theory, we find that the Hubbard U can be beneficial to superconductivity under some circumstances. In particular, we demonstrate that when the Boson energy Ω is small, a weak local repulsion actually stabilizesthe S-wave superconducting state. This behavior can be understood as an interplay between superconductivity, the polaron effect, and the on-site repulsion: As the polaron effect is strong and suppresses superconductivity in the small Ω regime, the weak on-site repulsion reduces the polaron effect and effectively enhances superconductivity. Our calculation elucidates the role of local repulsion in the conventional S-wave superconductors.

  4. Exact Solution of Ising Model in 2d Shortcut Network

    NASA Astrophysics Data System (ADS)

    Shanker, O.

    We give the exact solution to the Ising model in the shortcut network in the 2D limit. The solution is found by mapping the model to the square lattice model with Brascamp and Kunz boundary conditions.

  5. Quantum simulation of a Fermi-Hubbard model using a semiconductor quantum dot array

    NASA Astrophysics Data System (ADS)

    Hensgens, T.; Fujita, T.; Janssen, L.; Li, Xiao; van Diepen, C. J.; Reichl, C.; Wegscheider, W.; Das Sarma, S.; Vandersypen, L. M. K.

    2017-08-01

    Interacting fermions on a lattice can develop strong quantum correlations, which are the cause of the classical intractability of many exotic phases of matter. Current efforts are directed towards the control of artificial quantum systems that can be made to emulate the underlying Fermi-Hubbard models. Electrostatically confined conduction-band electrons define interacting quantum coherent spin and charge degrees of freedom that allow all-electrical initialization of low-entropy states and readily adhere to the Fermi-Hubbard Hamiltonian. Until now, however, the substantial electrostatic disorder of the solid state has meant that only a few attempts at emulating Fermi-Hubbard physics on solid-state platforms have been made. Here we show that for gate-defined quantum dots this disorder can be suppressed in a controlled manner. Using a semi-automated and scalable set of experimental tools, we homogeneously and independently set up the electron filling and nearest-neighbour tunnel coupling in a semiconductor quantum dot array so as to simulate a Fermi-Hubbard system. With this set-up, we realize a detailed characterization of the collective Coulomb blockade transition, which is the finite-size analogue of the interaction-driven Mott metal-to-insulator transition. As automation and device fabrication of semiconductor quantum dots continue to improve, the ideas presented here will enable the investigation of the physics of ever more complex many-body states using quantum dots.

  6. Quantum simulation of a Fermi-Hubbard model using a semiconductor quantum dot array.

    PubMed

    Hensgens, T; Fujita, T; Janssen, L; Li, Xiao; Van Diepen, C J; Reichl, C; Wegscheider, W; Das Sarma, S; Vandersypen, L M K

    2017-08-02

    Interacting fermions on a lattice can develop strong quantum correlations, which are the cause of the classical intractability of many exotic phases of matter. Current efforts are directed towards the control of artificial quantum systems that can be made to emulate the underlying Fermi-Hubbard models. Electrostatically confined conduction-band electrons define interacting quantum coherent spin and charge degrees of freedom that allow all-electrical initialization of low-entropy states and readily adhere to the Fermi-Hubbard Hamiltonian. Until now, however, the substantial electrostatic disorder of the solid state has meant that only a few attempts at emulating Fermi-Hubbard physics on solid-state platforms have been made. Here we show that for gate-defined quantum dots this disorder can be suppressed in a controlled manner. Using a semi-automated and scalable set of experimental tools, we homogeneously and independently set up the electron filling and nearest-neighbour tunnel coupling in a semiconductor quantum dot array so as to simulate a Fermi-Hubbard system. With this set-up, we realize a detailed characterization of the collective Coulomb blockade transition, which is the finite-size analogue of the interaction-driven Mott metal-to-insulator transition. As automation and device fabrication of semiconductor quantum dots continue to improve, the ideas presented here will enable the investigation of the physics of ever more complex many-body states using quantum dots.

  7. Emulating the 1-Dimensional Fermi-Hubbard Model with Superconducting Qubits

    NASA Astrophysics Data System (ADS)

    Reiner, Jan-Michael; Marthaler, Michael; Schön, Gerd

    A chain of qubits with both ZZ and XX couplings is described by a Hamiltonian which coincides with the Fermi-Hubbard model in one dimension. The qubit system can thus be used to study the quantum properties of this model. We investigate the specific implementation of such an analog quantum simulator by a chain of tunable Transmon qubits, where the ZZ interaction arises due to an inductive coupling and the XX interaction due to a capacitive coupling.

  8. Extended Bose-Hubbard model with pair hopping induced by a quadratically coupled optomechanical system

    NASA Astrophysics Data System (ADS)

    Huang, Yue-Xin; Zhou, Xiang-Fa; Guo, Guang-Can; Zhang, Yong-Sheng

    2016-10-01

    We present a scheme to realize the (extended) Bose-Hubbard model in an N -coupled optomechanical system. By treating the cavities as intermediary and eliminating them adiabatically with the condition of large detuning or fast decay, we can obtain the effective Hamiltonian for the N oscillators, with the regular terms in the Bose-Hubbard model, i.e., the pair tunnelings and the density-density interactions. Then we verify and provide the condition for our approximation with numerical results. Due to the existence of the pair tunnelings and the density-density interactions, we can investigate the density wave and supersolid phases in our model. Moreover, we also discuss the competition between the regular tunneling and the pair tunneling.

  9. Strong coupling expansion for the Bose-Hubbard and Jaynes-Cummings lattice models.

    PubMed

    Heil, Christoph; von der Linden, Wolfgang

    2012-07-25

    A strong coupling expansion based on the Kato-Bloch perturbation theory, which has recently been proposed by Eckardt et al (2009 Phys. Rev. B 79 195131) and Teichmann et al (2009 Phys. Rev. B 79 224515), is implemented in order to study various aspects of the Bose-Hubbard and Jaynes-Cummings lattice models. The approach, which allows us to generate numerically all diagrams up to a desired order in the interaction strength, is generalized for disordered systems and for the Jaynes-Cummings lattice model. Results for the Bose-Hubbard and Jaynes-Cummings lattice models will be presented and compared with results from the variational cluster approach and density matrix renormalization group. Our focus will be on the Mott insulator to superfluid transition.

  10. Measurement of the Equation of State of the Two-Dimensional Hubbard Model

    NASA Astrophysics Data System (ADS)

    Miller, Luke; Cocchi, Eugenio; Drewes, Jan; Koschorreck, Marco; Pertot, Daniel; Brennecke, Ferdinand; Koehl, Michael

    2016-05-01

    The subtle interplay between kinetic energy, interactions and dimensionality challenges our comprehension of strongly-correlated physics observed, for example, in the solid state. In this quest, the Hubbard model has emerged as a conceptually simple, yet rich model describing such physics. Here we present an experimental determination of the equation of state of the repulsive two-dimensional Hubbard model over a broad range of interactions, 0 <= U / t <= 20 , and temperatures, down to kB T / t = 0 . 63(2) using high-resolution imaging of ultracold fermionic atoms in optical lattices. We show density profiles, compressibilities and double occupancies over the whole doping range, and hence our results constitute benchmarks for state-of-the-art theoretical approaches.

  11. Topological Hubbard model and its high-temperature quantum Hall effect.

    PubMed

    Neupert, Titus; Santos, Luiz; Ryu, Shinsei; Chamon, Claudio; Mudry, Christopher

    2012-01-27

    The quintessential two-dimensional lattice model that describes the competition between the kinetic energy of electrons and their short-range repulsive interactions is the repulsive Hubbard model. We study a time-reversal symmetric variant of the repulsive Hubbard model defined on a planar lattice: Whereas the interaction is unchanged, any fully occupied band supports a quantized spin Hall effect. We show that at 1/2 filling of this band, the ground state develops spontaneously and simultaneously Ising ferromagnetic long-range order and a quantized charge Hall effect when the interaction is sufficiently strong. We ponder on the possible practical applications, beyond metrology, that the quantized charge Hall effect might have if it could be realized at high temperatures and without external magnetic fields in strongly correlated materials.

  12. Breaking of SU(4) symmetry and interplay between strongly correlated phases in the Hubbard model

    NASA Astrophysics Data System (ADS)

    Golubeva, A.; Sotnikov, A.; Cichy, A.; Kuneš, J.; Hofstetter, W.

    2017-03-01

    We study the thermodynamic properties of four-component fermionic mixtures described by the Hubbard model using the dynamical mean-field-theory approach. Special attention is given to the system with SU(4)-symmetric interactions at half filling, where we analyze equilibrium many-body phases and their coexistence regions at nonzero temperature for the case of simple cubic lattice geometry. We also determine the evolution of observables in low-temperature phases while lowering the symmetry of the Hamiltonian towards the two-band Hubbard model. This is achieved by varying interflavor interactions or by introducing the spin-flip term (Hund's coupling). By calculating the entropy for different symmetries of the model, we determine the optimal regimes for approaching the studied phases in experiments with ultracold alkali and alkaline-earth-like atoms in optical lattices.

  13. Methodes d'amas quantiques a temperature finie appliquees au modele de Hubbard

    NASA Astrophysics Data System (ADS)

    Plouffe, Dany

    Depuis leur decouverte dans les annees 80, les supraconducteurs a haute temperature critique ont suscite beaucoup d'interet en physique du solide. Comprendre l'origine des phases observees dans ces materiaux, telle la supraconductivite, est l'un des grands defis de la physique theorique du solide des 25 dernieres annees. L'un des mecanismes pressentis pour expliquer ces phenomenes est la forte interaction electron-electron. Le modele de Hubbard est l'un des modeles les plus simples pour tenir compte de ces interactions. Malgre la simplicite apparente de ce modele, certaines de ses caracteristiques, dont son diagramme de phase, ne sont toujours pas bien etablies, et ce malgre plusieurs avancements theoriques dans les dernieres annees. Cette etude se consacre a faire une analyse de methodes numeriques permettant de calculer diverses proprietes du modele de Hubbard en fonction de la temperature. Nous decrivons des methodes (la VCA et la CPT) qui permettent de calculer approximativement la fonction de Green a temperature finie sur un systeme infini a partir de la fonction de Green calculee sur un amas de taille finie. Pour calculer ces fonctions de Green, nous allons utiliser des methodes permettant de reduire considerablement les efforts numeriques necessaires pour les calculs des moyennes thermodynamiques, en reduisant considerablement l'espace des etats a considerer dans ces moyennes. Bien que cette etude vise d'abord a developper des methodes d'amas pour resoudre le modele de Hubbard a temperature finie de facon generale ainsi qu'a etudier les proprietes de base de ce modele, nous allons l'appliquer a des conditions qui s'approchent de supraconducteurs a haute temperature critique. Les methodes presentees dans cette etude permettent de tracer un diagramme de phase pour l'antiferromagnetisme et la supraconductivite qui presentent plusieurs similarites avec celui des supraconducteurs a haute temperature. Mots-cles : modele de Hubbard, thermodynamique

  14. Quantum quenches and off-equilibrium dynamical transition in the infinite-dimensional Bose-Hubbard model.

    PubMed

    Sciolla, Bruno; Biroli, Giulio

    2010-11-26

    We study the off-equilibrium dynamics of the infinite-dimensional Bose-Hubbard model after a quantum quench. The dynamics can be analyzed exactly by mapping it to an effective Newtonian evolution. For integer filling, we find a dynamical transition separating regimes of small and large quantum quenches starting from the superfluid state. This transition is very similar to the one found for the fermionic Hubbard model by mean field approximations.

  15. The energy spectrum and the optical absorption spectrum of C{sub 60} fullerene within the Hubbard model

    SciTech Connect

    Silant’ev, A. V.

    2015-10-15

    Anticommutator Green’s functions and the energy spectrum of C{sub 60} fullerene are calculated in the approximation of static fluctuations within the Hubbard model. On the basis of this spectrum, an interpretation is proposed for the experimentally observed optical absorption bands of C{sub 60} fullerene. The parameters of C{sub 60} fullerene that characterize it within the Hubbard model are calculated by the optical absorption spectrum.

  16. Studying Zeolite Catalysts with a 2D Model System

    SciTech Connect

    Boscoboinik, Anibal

    2016-12-07

    Anibal Boscoboinik, a materials scientist at Brookhaven’s Center for Functional Nanomaterials, discusses the surface-science tools and 2D model system he uses to study catalysis in nanoporous zeolites, which catalyze reactions in many industrial processes.

  17. Observation of antiferromagnetic correlations in the Hubbard model with ultracold atoms

    NASA Astrophysics Data System (ADS)

    Hart, Russell A.; Duarte, Pedro M.; Yang, Tsung-Lin; Liu, Xinxing; Paiva, Thereza; Khatami, Ehsan; Scalettar, Richard T.; Trivedi, Nandini; Huse, David A.; Hulet, Randall G.

    2015-03-01

    Ultracold atoms in optical lattices have great potential to contribute to a better understanding of some of the most important issues in many-body physics, such as high-temperature superconductivity. The Hubbard model--a simplified representation of fermions moving on a periodic lattice--is thought to describe the essential details of copper oxide superconductivity. This model describes many of the features shared by the copper oxides, including an interaction-driven Mott insulating state and an antiferromagnetic (AFM) state. Optical lattices filled with a two-spin-component Fermi gas of ultracold atoms can faithfully realize the Hubbard model with readily tunable parameters, and thus provide a platform for the systematic exploration of its phase diagram. Realization of strongly correlated phases, however, has been hindered by the need to cool the atoms to temperatures as low as the magnetic exchange energy, and also by the lack of reliable thermometry. Here we demonstrate spin-sensitive Bragg scattering of light to measure AFM spin correlations in a realization of the three-dimensional Hubbard model at temperatures down to 1.4 times that of the AFM phase transition. This temperature regime is beyond the range of validity of a simple high-temperature series expansion, which brings our experiment close to the limit of the capabilities of current numerical techniques, particularly at metallic densities. We reach these low temperatures using a compensated optical lattice technique, in which the confinement of each lattice beam is compensated by a blue-detuned laser beam. The temperature of the atoms in the lattice is deduced by comparing the light scattering to determinant quantum Monte Carlo simulations and numerical linked-cluster expansion calculations. Further refinement of the compensated lattice may produce even lower temperatures which, along with light scattering thermometry, would open avenues for producing and characterizing other novel quantum states of

  18. Quantum gates and architecture for the quantum simulation of the Fermi-Hubbard model

    NASA Astrophysics Data System (ADS)

    Dallaire-Demers, Pierre-Luc; Wilhelm, Frank K.

    2016-12-01

    Quantum computers are the ideal platform for quantum simulations. Given enough coherent operations and qubits, such machines can be leveraged to simulate strongly correlated materials, where intricate quantum effects give rise to counterintuitive macroscopic phenomena such as high-temperature superconductivity. In this paper, we provide a gate decomposition and an architecture for a quantum simulator used to simulate the Fermi-Hubbard model in a hybrid variational quantum-classical algorithm. We propose a simple planar implementation-independent layout of qubits that can also be used to simulate more general fermionic systems. By working through a concrete application, we show the gate decomposition used to simulate the Hamiltonian of a cluster of the Fermi-Hubbard model. We briefly analyze the Trotter-Suzuki errors and estimate the scaling properties of the algorithm for more complex applications.

  19. Local integrals of motion in the two-site Anderson-Hubbard model

    NASA Astrophysics Data System (ADS)

    Wortis, R.; Kennett, Malcolm P.

    2017-10-01

    It has been proposed that the states of fully many-body localized systems can be described in terms of conserved local pseudospins. Due to the multitude of ways to define these, the explicit identification of the optimally local pseudospins in specific systems is non-trivial. Given continuing intense interest in the role of disorder in strongly correlated systems, we consider the disordered Hubbard model. By studying a small system we provide concrete examples of the form of local integrals of motion in the Anderson-Hubbard model. Moreover, we are able not only to identify the most local choice but also to explore the nature of the distribution of possible choices. We track the evolution of the optimally localized pseudospins as hopping and interactions are varied to move the system away from the trivially localized atomic limit.

  20. Magnetic and Superfluid Transitions in the One-Dimensional Spin-1 Boson Hubbard Model

    SciTech Connect

    Batrouni, G. G.; Rousseau, V. G.; Scalettar, R. T.

    2009-04-10

    Recent progress in experiments on trapped ultracold atoms has made it possible to study the interplay between magnetism and superfluid-insulator transitions in the boson Hubbard model. We report on quantum Monte Carlo simulations of the spin-1 boson Hubbard model in the ground state. For antiferromagnetic interactions favoring singlets, we present exact numerical evidence that the superfluid-insulator transition is first (second) order for even (odd) Mott lobes. Inside even lobes, we search for nematic-to-singlet first order transitions. In the ferromagnetic case where transitions are all continuous, we map the phase diagram and show the superfluid to be ferromagnetic. We compare the quantum Monte Carlo phase diagram with a third order perturbation calculation.

  1. Detecting phase transitions and crossovers in Hubbard models using the fidelity susceptibility

    NASA Astrophysics Data System (ADS)

    Huang, Li; Wang, Yilin; Wang, Lei; Werner, Philipp

    2016-12-01

    A generalized version of the fidelity susceptibility of single-band and multiorbital Hubbard models is systematically studied using single-site dynamical mean-field theory in combination with a hybridization expansion continuous-time quantum Monte Carlo impurity solver. We find that the fidelity susceptibility is extremely sensitive to changes in the state of the system. It can be used as a numerically inexpensive tool to detect and characterize a broad range of phase transitions and crossovers in Hubbard models, including (orbital-selective) Mott metal-insulator transitions, magnetic phase transitions, high-spin to low-spin transitions, Fermi-liquid to non-Fermi-liquid crossovers, and spin-freezing crossovers.

  2. Exact diagonalization and quantum Monte Carlo study of an ionic Hubbard model in two dimensions

    NASA Astrophysics Data System (ADS)

    Cho, Jongweon; Lee, Ji-Woo

    2017-03-01

    We study quantum phase transitions of an ionic Hubbard model in two dimensions. The ionic Hubbard model explains the quantum states of strongly correlated electrons under the influence of checkerboard-type alternating chemical potentials. For a given amplitude of the alternating potentials Δ, we obtain quantum ground states as we tune the local repulsive energy U between a spin-up electron and a spin-down electron by using an exact diagonalization method of a modified Lanczos algorithm. The system undergoes a quantum phase transition from a band insulator to a Mott insulator as U increases at half-filling. We find the signature of a quantum phase transition by investigating the behavior of ground-state energies and that of double occupancies for the size of L × L = 4 × 4, which was the largest possible lattice in this work. We compare our results with those of quantum Monte Carlo simulations employing the Hirsch-Fye algorithm.

  3. J Freezing and Hund's Rules in Spin-Orbit-Coupled Multiorbital Hubbard Models

    NASA Astrophysics Data System (ADS)

    Kim, Aaram J.; Jeschke, Harald O.; Werner, Philipp; Valentí, Roser

    2017-02-01

    We investigate the phase diagram of the spin-orbit-coupled three orbital Hubbard model at arbitrary filling by means of dynamical mean-field theory combined with the continuous-time quantum Monte Carlo method. We find that the spin-freezing crossover occurring in the metallic phase of the nonrelativistic multiorbital Hubbard model can be generalized to a J -freezing crossover, with J =L +S , in the spin-orbit-coupled case. In the J -frozen regime the correlated electrons exhibit a nontrivial flavor selectivity and energy dependence. Furthermore, in the regions near n =2 and n =4 the metallic states are qualitatively different from each other, which reflects the atomic Hund's third rule. Finally, we explore the appearance of magnetic order from exciton condensation at n =4 and discuss the relevance of our results for real materials.

  4. A Riemann-Hilbert formulation for the finite temperature Hubbard model

    NASA Astrophysics Data System (ADS)

    Cavaglià, Andrea; Cornagliotto, Martina; Mattelliano, Massimo; Tateo, Roberto

    2015-06-01

    Inspired by recent results in the context of AdS/CFT integrability, we reconsider the Thermodynamic Bethe Ansatz equations describing the 1D fermionic Hubbard model at finite temperature. We prove that the infinite set of TBA equations are equivalent to a simple nonlinear Riemann-Hilbert problem for a finite number of unknown functions. The latter can be transformed into a set of three coupled nonlinear integral equations defined over a finite support, which can be easily solved numerically. We discuss the emergence of an exact Bethe Ansatz and the link between the TBA approach and the results by Jüttner, Klümper and Suzuki based on the Quantum Transfer Matrix method. We also comment on the analytic continuation mechanism leading to excited states and on the mirror equations describing the finite-size Hubbard model with twisted boundary conditions.

  5. J Freezing and Hund's Rules in Spin-Orbit-Coupled Multiorbital Hubbard Models.

    PubMed

    Kim, Aaram J; Jeschke, Harald O; Werner, Philipp; Valentí, Roser

    2017-02-24

    We investigate the phase diagram of the spin-orbit-coupled three orbital Hubbard model at arbitrary filling by means of dynamical mean-field theory combined with the continuous-time quantum Monte Carlo method. We find that the spin-freezing crossover occurring in the metallic phase of the nonrelativistic multiorbital Hubbard model can be generalized to a J-freezing crossover, with J=L+S, in the spin-orbit-coupled case. In the J-frozen regime the correlated electrons exhibit a nontrivial flavor selectivity and energy dependence. Furthermore, in the regions near n=2 and n=4 the metallic states are qualitatively different from each other, which reflects the atomic Hund's third rule. Finally, we explore the appearance of magnetic order from exciton condensation at n=4 and discuss the relevance of our results for real materials.

  6. Density matrix renormalization group study of the Anyon-Hubbard model

    NASA Astrophysics Data System (ADS)

    Arcila-Forero, J.; Franco, R.; Silva-Valencia, J.

    2016-02-01

    Recently optical lattices allow us to observe phase transition without the uncertainty posed by complex materials, and the simulations of these systems are an excellent bridge between materials-based condensed matter physics and cold atoms. In this way, the computational physics related to many-body problems have increased in importance. Using the density matrix renormalization group method, we studied a Hubbard model for anyons, which is an equivalent to a variant of the Bose-Hubbard model in which the bosonic hopping depends on the local density. This is an exact mapping between anyons and bosons in one dimension. The anyons interlope between bosons and fermions. For two anyons under particle exchange, the wave function acquires a fractional phase eiθ . We conclude that this system exhibits two phases: Mott-insulator and superfluid. We present the phase diagram for some angles. The Mott lobe increases with an increase of the statistical. We observed a reentrance phase transition for all lobes. We showed that the model studied is in the same universality class as the Bose-Hubbard model with two-body interactions.

  7. Exact solution of the one-dimensional Hubbard model with arbitrary boundary magnetic fields

    NASA Astrophysics Data System (ADS)

    Li, Yuan-Yuan; Cao, Junpeng; Yang, Wen-Li; Shi, Kangjie; Wang, Yupeng

    2014-02-01

    The one-dimensional Hubbard model with arbitrary boundary magnetic fields is solved exactly via the Bethe ansatz methods. With the coordinate Bethe ansatz in the charge sector, the second eigenvalue problem associated with the spin sector is constructed. It is shown that the second eigenvalue problem can be transformed into that of the inhomogeneous XXX spin chain with arbitrary boundary fields which can be solved via the off-diagonal Bethe ansatz method.

  8. Elementary excitations for the one-dimensional Hubbard model at finite temperatures

    NASA Astrophysics Data System (ADS)

    Tomiyama, A.; Suga, S.; Okiji, A.

    1997-07-01

    The elementary excitations for the one-dimensional Hubbard model at finite temperatures are studied with the use of the Bethe ansatz solution. The formulation is based on the method of Yang and Yang, which was developed for the one-dimensional boson systems with the 0953-8984/9/27/014/img1-function type interaction. The dispersion relations and the excitation spectrums are obtained numerically for the charge and the spin degrees of freedom.

  9. Density matrix spectra and order parameters in the 1D extended Hubbard model

    NASA Astrophysics Data System (ADS)

    Yu, Wing Chi; Gu, Shi-Jian; Lin, Hai-Qing

    2016-09-01

    Without any knowledge of the symmetry existing in a system, we derive the exact forms of the order parameters which show long-range correlations in the ground state of the one-dimensional (1D) extended Hubbard model using a quantum information approach. Our work demonstrates that the quantum information approach can help us to find the explicit form of the order parameter, which could not be derived systematically via traditional methods in the condensed matter theory.

  10. Monte Carlo calculation of dynamical properties of the two-dimensional Hubbard model

    NASA Technical Reports Server (NTRS)

    White, S. R.; Scalapino, D. J.; Sugar, R. L.; Bickers, N. E.

    1989-01-01

    A new method is introduced for analytically continuing imaginary-time data from quantum Monte Carlo calculations to the real-frequency axis. The method is based on a least-squares-fitting procedure with constraints of positivity and smoothness on the real-frequency quantities. Results are shown for the single-particle spectral-weight function and density of states for the half-filled, two-dimensional Hubbard model.

  11. Density matrix embedding theory studies of the two-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Zheng, Bo-Xiao

    Density matrix embedding theory (DMET) provides a quantum embedding framework to compute the electronic structure in strongly correlated lattice systems. It has been applied to various model Hamiltonians and ab initio systems. In this talk, I will review the results obtained in the two-dimensional one-band Hubbard model using DMET. Over the last years, we mapped a calibrated ground-state phase diagram of the two-dimensional Hubbard model, concerning magnetic, superconducting and various inhomogeneous phases. Based on the results from this work, as well as the consistent data from other numerical methods, we are able to conclude that many parts of the Hubbard phase diagram is already settled up to an accurate energy scale of 0.001t. Recently, by using large-scale auxiliary-field quantum Monte Carlo (AFQMC) in the impurity problem, we are able to treat much larger embedded clusters at half-filling (and with the constrained path approximation at non-half-filling), which provides a deeper understanding on the finite-size effects of energy and observables in both quantum embedding and finite cluster numerical methods. Finally, we systematically investigated the putative inhomogeneous phases in the underdoped, strong coupling Hubbard model, proposing new inhomogeneous patterns as strong candidates for the ground state. Reference: [1] Bo-Xiao Zheng, Garnet K.-L. Chan, arXiv:1504.01784 [2] J.P.F. Leblanc, Andrey E. Antipov, et al., arXiv:1505.02290 We acknowledge funding from the US Department of Energy, Office of Science, through DE-SC0008624 and DE-SC0010530. This work was also performed as part of the Simons Collaboration on the Many Electron Problem, sponsored by the Simons Foundation.

  12. The asymmetric Hubbard model with a confining potential: The partial filling case

    NASA Astrophysics Data System (ADS)

    Silva-Valencia, J.; Franco, R.; Figueira, M. S.

    We investigate the one-dimensional asymmetric Hubbard model with a confining potential, which may describe the ground state of two species of fermionic atoms trapped in a one-dimensional optical lattice. We use White's density matrix renormalization group and the global electronic density considered is n=0.8. The fermion density profiles and their variance were computed. We observe coexistence of insulating and metallic regions in the system. The effective confinement region is different for each kind of fermionic atom.

  13. The Bose-Hubbard model: from Josephson junction arrays to optical lattices

    NASA Astrophysics Data System (ADS)

    Bruder, C.; Fazio, R.; Schön, G.

    2005-09-01

    [Dedicated to Bernhard Mühlschlegel on the occasion ofhis 80th birthday]The Bose-Hubbard model is a paradigm for the study of strongly correlated bosonic systems. We review some of its properties with emphasis on the implications on quantum phase transitions of Josephson junction arrays and quantum dynamics of topological excitations as well as the properties of ultra-cold atoms in optical lattices.

  14. Coexistence of Incommensurate Magnetism and Superconductivity in the Two-Dimensional Hubbard Model.

    PubMed

    Yamase, Hiroyuki; Eberlein, Andreas; Metzner, Walter

    2016-03-04

    We analyze the competition of magnetism and superconductivity in the two-dimensional Hubbard model with a moderate interaction strength, including the possibility of incommensurate spiral magnetic order. Using an unbiased renormalization group approach, we compute magnetic and superconducting order parameters in the ground state. In addition to previously established regions of Néel order coexisting with d-wave superconductivity, the calculations reveal further coexistence regions where superconductivity is accompanied by incommensurate magnetic order.

  15. Monte Carlo calculation of dynamical properties of the two-dimensional Hubbard model

    NASA Technical Reports Server (NTRS)

    White, S. R.; Scalapino, D. J.; Sugar, R. L.; Bickers, N. E.

    1989-01-01

    A new method is introduced for analytically continuing imaginary-time data from quantum Monte Carlo calculations to the real-frequency axis. The method is based on a least-squares-fitting procedure with constraints of positivity and smoothness on the real-frequency quantities. Results are shown for the single-particle spectral-weight function and density of states for the half-filled, two-dimensional Hubbard model.

  16. Phase diagram of the two-dimensional negative-U Hubbard model

    NASA Technical Reports Server (NTRS)

    Scalettar, R. T.; Loh, E. Y.; Gubernatis, J. E.; Moreo, A.; White, S. R.

    1989-01-01

    Theoretical arguments and numerical calculations are used to discuss the phase diagram of the two-dimensional negative-U Hubbard model. The results are consistent with (1) a vanishing transition temperature at half-filling but with a ground state having both superconducting and charge-density-wave long-range order, and (2) a Kosterlitz-Thouless transition at a finite temperature into a superconducting state with power-law decay of the pairing correlations away from half-filling.

  17. Superconductivity in an attractive two-band Hubbard model with second nearest neighbors

    NASA Astrophysics Data System (ADS)

    Peraza-Salcedo, D. A.; Rodríguez-Núñez, J. J.; Bonalde, I.; Schmidt, A. A.

    2017-04-01

    This work extends the calculations performed by G. Litak, T. Örd, K. Rägo, and A. Vargunin, Physica C 483, 30 (2012), by including second nearest neighbors in an attractive two-orbital Hubbard model. We assumed that both the intra-orbital (Ui, i, with i = 1 , 2) and the inter-orbital Hubbard correlations (Ui, j, with i ≠ j) are negative; namely, Ui, j ≤ 0, ∀(i, j). We calculated the T - n phase diagram in the mean-field approximation. For a finite chemical potential ξ10 and a certain second nearest-neighbor parameter t2 superconductivity develops in two dome-like regions, each of which has its own energy gap. Notoriously, for t2 / |t1 | = 0.70 and ξ10 / |t1 | = 3 , where t1 is the nearest-neighbor parameter, Tc becomes zero around n = 2.5 .

  18. Singlet exciton condensation and bond-order-wave phase in the extended Hubbard model

    NASA Astrophysics Data System (ADS)

    Hafez-Torbati, Mohsen; Uhrig, Götz S.

    2017-09-01

    The competition of interactions implies the compensation of standard mechanisms, which leads to the emergence of exotic phases between conventional phases. The extended Hubbard model (EHM) is a fundamental example for the competition of the local Hubbard interaction and the nearest-neighbor density-density interaction, which at half-filling and in one dimension leads to a bond-order wave (BOW) between a charge-density wave (CDW) and a quasi-long-range order Mott insulator. We study the full momentum-resolved excitation spectrum of the one-dimensional EHM in the CDW phase, and we clarify the relation between different elementary energy gaps. We show that the CDW-to-BOW transition is driven by the softening of a singlet exciton at momentum π . The BOW is realized as the condensate of this singlet exciton.

  19. Phase diagrams of the Kane-Mele-Hubbard model in the presence of an external magnetic field

    NASA Astrophysics Data System (ADS)

    Quan, Ya-Min; Bao, Wei-Cheng; Wang, Wei-Hua; Liu, Da-Yong

    2017-05-01

    We studied the Kane-Mele-Hubbard model at half filling with Zeeman magnetic field using rotationally invariant slave boson method. The competition between external magnetic field and spin orbital coupling at large Hubbard U is explored. It is found that different canted antiferromagnetic phases exist in the presence of longitudinal and transverse magnetic fields. With longitudinal external magnetic field and strong electron correlation, the z component of the local moment is preferred by the finite spin-orbital coupling.

  20. Technical Review of the UNET2D Hydraulic Model

    SciTech Connect

    Perkins, William A.; Richmond, Marshall C.

    2009-05-18

    The Kansas City District of the US Army Corps of Engineers is engaged in a broad range of river management projects that require knowledge of spatially-varied hydraulic conditions such as velocities and water surface elevations. This information is needed to design new structures, improve existing operations, and assess aquatic habitat. Two-dimensional (2D) depth-averaged numerical hydraulic models are a common tool that can be used to provide velocity and depth information. Kansas City District is currently using a specific 2D model, UNET2D, that has been developed to meet the needs of their river engineering applications. This report documents a tech- nical review of UNET2D.

  1. Flow equations and the strong-coupling expansion for the Hubbard model

    NASA Astrophysics Data System (ADS)

    Stein, Jürgen

    1997-07-01

    Applying the method of continuous unitary transformations to a class of Hubbard models, we reexamine the derivation of the t/U expansion for the strong-coupling case. The flow equations for the coupling parameters of the higher order effective interactions can be solved exactly, resulting in a systematic expansion of the Hamiltonian in powers of t/U, valid for any lattice in arbitrary dimension and for general band filling. The expansion ensures a correct treatment of the operator products generated by the transformation, and only involves the explicit recursive calculation of numerical coefficients. This scheme provides a unifying framework to study the strong-coupling expansion for the Hubbard model, which clarifies and circumvents several difficulties inherent to earlier approaches. Our results are compared with those of other methods, and it is shown that the freedom in the choice of the unitary transformation that eliminates interactions between different Hubbard bands can affect the effective Hamiltonian only at order t 3/U2 or higher.

  2. TOPICAL REVIEW: W = 0 pairing in Hubbard and related models of low-dimensional superconductors

    NASA Astrophysics Data System (ADS)

    Balzarotti, Adalberto; Cini, Michele; Perfetto, Enrico; Stefanucci, Gianluca

    2004-12-01

    Lattice Hamiltonians with on-site interaction W have W = 0 solutions, that is, many-body singlet eigenstates without double occupation. In particular, W = 0 pairs give a clue to understand the pairing force in repulsive Hubbard models. These eigenstates are found in systems with high enough symmetry, like the square, hexagonal or triangular lattices. By a general theorem, we propose a systematic way to construct all the W = 0 pairs of a given Hamiltonian. We also introduce a canonical transformation to calculate the effective interaction between the particles of such pairs. In geometries appropriate for the CuO2 planes of cuprate superconductors, armchair carbon nanotubes, or cobalt oxide planes, the dressed pair becomes a bound state in a physically relevant range of parameters. We also show that W = 0 pairs quantize the magnetic flux as superconducting pairs do. The pairing mechanism breaks down in the presence of strong distortions. The W = 0 pairs are also the building blocks for the antiferromagnetic ground state of the half-filled Hubbard model at weak coupling. Our analytical results for the 4 × 4 Hubbard square lattice, compared to available numerical data, demonstrate that the method, besides providing an intuitive grasp on pairing, also has quantitative predictive power. We also consider including phonon effects in this scenario. Preliminary calculations with small clusters indicate that vector phonons hinder pairing while half-breathing modes are synergic with the W = 0 pairing mechanism both at weak coupling and in the polaronic regime.

  3. Pseudospin S = 1 formalism and skyrmion-like excitations in the three-body constrained extended Bose–Hubbard model

    SciTech Connect

    Moskvin, A. S.

    2015-09-15

    We discuss the most prominent and intensively studied S = 1 pseudospin formalism for the extended bosonic Hubbard model (EBHM) with the on-site Hilbert space truncated to the three lowest occupation states n = 0, 1, 2. The EBHM Hamiltonian is a paradigmatic model for the highly topical field of ultracold gases in optical lattices. The generalized non-Heisenberg effective pseudospin Hamiltonian does provide a deep link with a boson system and a physically clear description of “the myriad of phases,” from uniform Mott insulating phases and density waves to two types of superfluids and supersolids. We argue that the 2D pseudospin system is prone to a topological phase separation and focus on several types of unconventional skyrmion-like topological structures in 2D boson systems, which have not been analyzed until now. The structures are characterized by a complicated interplay of insulating and two superfluid phases with a single- boson and two-boson condensation, respectively.

  4. 2D microscopic model of graphene fracture properties

    NASA Astrophysics Data System (ADS)

    Hess, Peter

    2015-05-01

    An analytical two-dimensional (2D) microscopic fracture model based on Morse-type interaction is derived containing no adjustable parameter. From the 2D Young’s moduli and 2D intrinsic strengths of graphene measured by nanoindentation based on biaxial tension and calculated by density functional theory for uniaxial tension the widely unknown breaking force, line or edge energy, surface energy, fracture toughness, and strain energy release rate were determined. The simulated line energy agrees well with ab initio calculations and the fracture toughness of perfect graphene sheets is in good agreement with molecular dynamics simulations and the fracture toughness evaluated for defective graphene using the Griffith relation. Similarly, the estimated critical strain energy release rate agrees well with result of various theoretical approaches based on the J-integral and surface energy. The 2D microscopic model, connecting 2D and three-dimensional mechanical properties in a consistent way, provides a versatile relationship to easily access all relevant fracture properties of pristine 2D solids.

  5. An Intercomparison of 2-D Models Within a Common Framework

    NASA Technical Reports Server (NTRS)

    Weisenstein, Debra K.; Ko, Malcolm K. W.; Scott, Courtney J.; Jackman, Charles H.; Fleming, Eric L.; Considine, David B.; Kinnison, Douglas E.; Connell, Peter S.; Rotman, Douglas A.; Bhartia, P. K. (Technical Monitor)

    2002-01-01

    A model intercomparison among the Atmospheric and Environmental Research (AER) 2-D model, the Goddard Space Flight Center (GSFC) 2-D model, and the Lawrence Livermore National Laboratory 2-D model allows us to separate differences due to model transport from those due to the model's chemical formulation. This is accomplished by constructing two hybrid models incorporating the transport parameters of the GSFC and LLNL models within the AER model framework. By comparing the results from the native models (AER and e.g. GSFC) with those from the hybrid model (e.g. AER chemistry with GSFC transport), differences due to chemistry and transport can be identified. For the analysis, we examined an inert tracer whose emission pattern is based on emission from a High Speed Civil Transport (HSCT) fleet; distributions of trace species in the 2015 atmosphere; and the response of stratospheric ozone to an HSCT fleet. Differences in NO(y) in the upper stratosphere are found between models with identical transport, implying different model representations of atmospheric chemical processes. The response of O3 concentration to HSCT aircraft emissions differs in the models from both transport-dominated differences in the HSCT-induced perturbations of H2O and NO(y) as well as from differences in the model represent at ions of O3 chemical processes. The model formulations of cold polar processes are found to be the most significant factor in creating large differences in the calculated ozone perturbations

  6. Engineering extended Hubbard models with Zeeman excitations of ultracold Dy atoms

    NASA Astrophysics Data System (ADS)

    Vargas-Hernández, R. A.; Krems, R. V.

    2016-12-01

    We show that Zeeman excitations of ultracold Dy atoms trapped in an optical lattice can be used to engineer extended Hubbard models with tunable inter-site and particle number-non-conserving interactions. We show that the ratio of the hopping amplitude and inter-site interactions in these lattice models can be tuned in a wide range by transferring the atoms to different Zeeman states. We propose to use the resulting controllable models for the study of the effects of direct particle interactions and particle number-non-conserving terms on Anderson localization.

  7. Local moment approach as a quantum impurity solver for the Hubbard model

    NASA Astrophysics Data System (ADS)

    Barman, Himadri

    2016-07-01

    The local moment approach (LMA) has presented itself as a powerful semianalytical quantum impurity solver (QIS) in the context of the dynamical mean-field theory (DMFT) for the periodic Anderson model and it correctly captures the low-energy Kondo scale for the single impurity model, having excellent agreement with the Bethe ansatz and numerical renormalization group (NRG) results. However, the most common correlated lattice model, the Hubbard model, has not been explored well within the LMA+DMFT framework beyond the insulating phase. Here in our work, within the framework we complete the filling-interaction phase diagram of the single band Hubbard model at zero temperature. Our formalism is generic to any particle filling and can be extended to finite temperature. We contrast our results with another QIS, namely the iterated perturbation theory (IPT) and show that the second spectral moment sum rule improves better as the Hubbard interaction strength grows stronger in LMA, whereas it severely breaks down after the Mott transition in IPT. For the metallic case, the Fermi liquid (FL) scaling agreement with the NRG spectral density supports the fact that the FL scale emerges from the inherent Kondo physics of the impurity model. We also show that, in the metallic phase, the FL scaling of the spectral density leads to universality which extends to infinite frequency range at infinite correlation strength (strong coupling). At large interaction strength, the off half-filling spectral density forms a pseudogap near the Fermi level and filling-controlled Mott transition occurs as one approaches the half-filling. As a response property, we finally study the zero temperature optical conductivity and find universal features such as absorption peak position governed by the FL scale and a doping independent crossing point, often dubbed the isosbestic point in experiments.

  8. Doping-driven metal-insulator transitions and charge orderings in the extended Hubbard model

    NASA Astrophysics Data System (ADS)

    Kapcia, K. J.; Robaszkiewicz, S.; Capone, M.; Amaricci, A.

    2017-03-01

    We perform a thorough study of the extended Hubbard model featuring local and nearest-neighbor Coulomb repulsion. Using the dynamical mean-field theory we investigated the zero-temperature phase diagram of this model as a function of the chemical doping. The interplay between local and nonlocal interactions drives a variety of phase transitions connecting two distinct charge-ordered insulators, i.e., half filled and quarter filled, a charge-ordered metal and a Mott-insulating phase. We characterize these transitions and the relative stability of the solutions and we show that the two interactions conspire to stabilize the quarter-filled charge-ordered phase.

  9. Quantum rotor description of the Mott-insulator transition in the Bose-Hubbard model

    SciTech Connect

    Polak, T. P.; Kopec, T. K.

    2007-09-01

    We present an approach to the Bose-Hubbard model using the U(1) quantum rotor description. The effective action formalism allows us to formulate a problem in the phase only action and obtain analytical formulas for the critical lines. We show that the nontrivial U(1) phase field configurations have an impact on the phase diagrams. The topological character of the quantum field is governed by terms of the integer charges--winding numbers. The comparison of presented results to recently obtained quantum Monte Carlo numerical calculations suggests that the competition between quantum effects in strongly interacting boson systems is correctly captured by our model.

  10. Quantum Monte Carlo method for the Bose-Hubbard model with harmonic confining potential.

    PubMed

    Kato, Yasuyuki; Kawashima, Naoki

    2009-02-01

    We study the Bose-Hubbard model with an external harmonic field, which is effective for modeling a cold atomic Bose gas trapped in an optical lattice. We modify the directed-loop algorithm to simulate large systems efficiently. As a demonstration we carry out the simulation of a system consisting of 1. 8 x 10{5} particles on a 64{3} lattice. These numbers are comparable to those in the pioneering experimental work by Greiner [Nature (London) 415, 39 (2002)]. Furthermore, we observe coherence between two superfluid spheres separated by a Mott insulator region in a "wedding-cake" structure.

  11. Topological Phase Transitions in the Repulsively Interacting Haldane-Hubbard Model.

    PubMed

    Vanhala, Tuomas I; Siro, Topi; Liang, Long; Troyer, Matthias; Harju, Ari; Törmä, Päivi

    2016-06-03

    Using dynamical mean-field theory and exact diagonalization we study the phase diagram of the repulsive Haldane-Hubbard model, varying the interaction strength and the sublattice potential difference. In addition to the quantum Hall phase with Chern number C=2 and the band insulator with C=0 present already in the noninteracting model, the system also exhibits a C=0 Mott insulating phase, and a C=1 quantum Hall phase. We explain the latter phase by a spontaneous symmetry breaking where one of the spin components is in the Hall state and the other in the band insulating state.

  12. Studying Zeolite Catalysts with a 2D Model System

    ScienceCinema

    Boscoboinik, Anibal

    2016-12-14

    Anibal Boscoboinik, a materials scientist at Brookhaven’s Center for Functional Nanomaterials, discusses the surface-science tools and 2D model system he uses to study catalysis in nanoporous zeolites, which catalyze reactions in many industrial processes.

  13. Consistency between 2D-3D Sediment Transport models

    NASA Astrophysics Data System (ADS)

    Villaret, Catherine; Jodeau, Magali

    2017-04-01

    Sediment transport models have been developed and applied by the engineering community to estimate transport rates and morphodynamic bed evolutions in river flows, coastal and estuarine conditions. Environmental modelling systems like the open-source Telemac modelling system include a hierarchy of models from 1D (Mascaret), 2D (Telemac-2D/Sisyphe) and 3D (Telemac-3D/Sedi-3D) and include a wide range of processes to represent sediment flow interactions under more and more complex situations (cohesive, non-cohesive and mixed sediment). Despite some tremendous progresses in the numerical techniques and computing resources, the quality/accuracy of model results mainly depend on the numerous choices and skills of the modeler. In complex situations involving stratification effects, complex geometry, recirculating flows… 2D model assumptions are no longer valid. A full 3D turbulent flow model is then required in order to capture the vertical mixing processes and to represent accurately the coupled flow/sediment distribution. However a number of theoretical and numerical difficulties arise when dealing with sediment transport modelling in 3D which will be high-lighted : (1) Dependency of model results to the vertical grid refinement and choice of boundary conditions and numerical scheme (2) The choice of turbulence model determines also the sediment vertical distribution which is governed by a balance between the downward settling term and upward turbulent diffusion. (3) The use of different numerical schemes for both hydrodynamics (mean and turbulent flow) and sediment transport modelling can lead to some inconsistency including a mismatch in the definition of numerical cells and definition of boundary conditions. We discuss here those present issues and present some detailed comparison between 2D and 3D simulations on a set of validation test cases which are available in the Telemac 7.2 release using both cohesive and non-cohesive sediments.

  14. Preliminary 2D numerical modeling of common granular problems

    NASA Astrophysics Data System (ADS)

    Wyser, Emmanuel; Jaboyedoff, Michel

    2017-04-01

    Granular studies received an increasing interest during the last decade. Many scientific investigations were successfully addressed to acknowledge the ubiquitous behavior of granular matter. We investigate liquid impacts onto granular beds, i.e. the influence of the packing and compaction-dilation transition. However, a physically-based model is still lacking to address complex microscopic features of granular bed response during liquid impacts such as compaction-dilation transition or granular bed uplifts (Wyser et al. in review). We present our preliminary 2D numerical modeling based on the Discrete Element Method (DEM) using nonlinear contact force law (the Hertz-Mindlin model) for disk shape particles. The algorithm is written in C programming language. Our 2D model provides an analytical tool to address granular problems such as i) granular collapses and ii) static granular assembliy problems. This provides a validation framework of our numerical approach by comparing our numerical results with previous laboratory experiments or numerical works. Inspired by the work of Warnett et al. (2014) and Staron & Hinch (2005), we studied i) the axisymetric collapse of granular columns. We addressed the scaling between the initial aspect ratio and the final runout distance. Our numerical results are in good aggreement with the previous studies of Warnett et al. (2014) and Staron & Hinch (2005). ii) Reproducing static problems for regular and randomly stacked particles provides a valid comparison to results of Egholm (2007). Vertical and horizontal stresses within the assembly are quite identical to stresses obtained by Egholm (2007), thus demonstating the consistency of our 2D numerical model. Our 2D numerical model is able to reproduce common granular case studies such as granular collapses or static problems. However, a sufficient small timestep should be used to ensure a good numerical consistency, resulting in higher computational time. The latter becomes critical

  15. Gold-standard performance for 2D hydrodynamic modeling

    NASA Astrophysics Data System (ADS)

    Pasternack, G. B.; MacVicar, B. J.

    2013-12-01

    Two-dimensional, depth-averaged hydrodynamic (2D) models are emerging as an increasingly useful tool for environmental water resources engineering. One of the remaining technical hurdles to the wider adoption and acceptance of 2D modeling is the lack of standards for 2D model performance evaluation when the riverbed undulates, causing lateral flow divergence and convergence. The goal of this study was to establish a gold-standard that quantifies the upper limit of model performance for 2D models of undulating riverbeds when topography is perfectly known and surface roughness is well constrained. A review was conducted of published model performance metrics and the value ranges exhibited by models thus far for each one. Typically predicted velocity differs from observed by 20 to 30 % and the coefficient of determination between the two ranges from 0.5 to 0.8, though there tends to be a bias toward overpredicting low velocity and underpredicting high velocity. To establish a gold standard as to the best performance possible for a 2D model of an undulating bed, two straight, rectangular-walled flume experiments were done with no bed slope and only different bed undulations and water surface slopes. One flume tested model performance in the presence of a porous, homogenous gravel bed with a long flat section, then a linear slope down to a flat pool bottom, and then the same linear slope back up to the flat bed. The other flume had a PVC plastic solid bed with a long flat section followed by a sequence of five identical riffle-pool pairs in close proximity, so it tested model performance given frequent undulations. Detailed water surface elevation and velocity measurements were made for both flumes. Comparing predicted versus observed velocity magnitude for 3 discharges with the gravel-bed flume and 1 discharge for the PVC-bed flume, the coefficient of determination ranged from 0.952 to 0.987 and the slope for the regression line was 0.957 to 1.02. Unsigned velocity

  16. Magnetic and metallic state at intermediate Hubbard U coupling in multiorbital models for undoped iron pnictides

    SciTech Connect

    Yu, Rong; Trinh, Kien T.; Moreo, Adriana; Daghofer, Maria; Riera, J. A.; Haas, Stephan; Dagotto, Elbio R

    2009-01-01

    Multiorbital Hubbard model Hamiltonians for the undoped parent compounds of the Fe-pnictide superconductors are investigated here using mean-field techniques. For a realistic four-orbital model, our results show the existence of an intermediate Hubbard U coupling regime where the mean-field ground state has a ,0 antiferromagnetic order, as in neutron-scattering experiments, while remaining metallic due to the phenomenon of band overlaps. The angle-resolved photoemission intensity and Fermi surface of this magnetic and metallic state are discussed. Other models are also investigated, including a two-orbital model where not only the mean-field technique can be used but also the exact diagonalization in small clusters and the variational cluster approximation in the bulk. The combined results of the three techniques point toward the existence of an intermediate-coupling magnetic and metallic state in the two-orbital model, similar to the intermediatecoupling mean-field state of the four-orbital model. We conclude that the state discussed here is compatible with the experimentally known properties of the undoped Fe pnictides.

  17. Instantons in 2D U(1) Higgs model and 2D CP(N-1) sigma models

    NASA Astrophysics Data System (ADS)

    Lian, Yaogang

    2007-12-01

    In this thesis I present the results of a study of the topological structures of 2D U(1) Higgs model and 2D CP N-1 sigma models. Both models have been studied using the overlap Dirac operator construction of topological charge density. The overlap operator provides a more incisive probe into the local topological structure of gauge field configurations than the traditional plaquette-based operator. In the 2D U(1) Higgs model, we show that classical instantons with finite sizes violate the negativity of topological charge correlator by giving a positive contribution to the correlator at non-zero separation. We argue that instantons in 2D U(1) Higgs model must be accompanied by large quantum fluctuations in order to solve this contradiction. In 2D CPN-1 sigma models, we observe the anomalous scaling behavior of the topological susceptibility chi t for N ≤ 3. The divergence of chi t in these models is traced to the presence of small instantons with a radius of order a (= lattice spacing), which are directly observed on the lattice. The observation of these small instantons provides detailed confirmation of Luscher's argument that such short-distance excitations, with quantized topological charge, should be the dominant topological fluctuations in CP1 and CP 2, leading to a divergent topological susceptibility in the continuum limit. For the CPN-1 models with N > 3 the topological susceptibility is observed to scale properly with the mass gap. Another topic presented in this thesis is an implementation of the Zolotarev optimal rational approximation for the overlap Dirac operator. This new implementation has reduced the time complexity of the overlap routine from O(N3 ) to O(N), where N is the total number of sites on the lattice. This opens up a door to more accurate lattice measurements in the future.

  18. Dimerized ground state in the one-dimensional spin-1 boson Hubbard model

    SciTech Connect

    Apaja, Vesa; Syljuaasen, Olav F.

    2006-09-15

    We have investigated the one-dimensional spin-1 boson Hubbard model with antiferromagnetic interactions using quantum Monte Carlo methods. We obtain the shapes of the two lowest Mott lobes and show that the ground state within the lowest Mott lobe is dimerized. The results presented here are relevant for optically trapped antiferromagnetic spin-1 bosons. An experimental signature of the dimerized ground state is modulated Bragg peaks in the noise distribution of the atomic cloud obtained after switching off the trap. These Bragg peaks are located at wave vectors corresponding to half-integer multiples of the reciprocal wave vector of the optical lattice.

  19. Slave-boson mean field versus quantum Monte Carlo results for the Hubbard model

    NASA Astrophysics Data System (ADS)

    Lilly, L.; Muramatsu, A.; Hanke, W.

    1990-09-01

    The one-band Hubbard model is considered in the slave-boson formulation first introduced by Kotliar and Ruckenstein. It is shown that a mean-field approximation, where broken-symmetry states appropriate for a bipartite lattice are allowed, leads to a quantitative agreement with quantum Monte Carlo results for local observables over a wide range of interactions (0<=1). Thus, our saddle-point solutions constitute an excellent starting point for a systematic treatment of fluctuations.

  20. Suppression of superconductivity in the Hubbard model by buckling and breathing phonons.

    PubMed

    Macridin, Alexandru; Moritz, Brian; Jarrell, M; Maier, Thomas

    2012-11-28

    We study the effect of buckling and breathing phonons, relevant for cuprate superconductors, on the d-wave superconductivity in the two-dimensional Hubbard model by employing dynamical cluster Monte Carlo calculations. The interplay of electronic correlations and the electron-phonon interaction produces two competing effects: an enhancement of the effective d-wave pairing interaction, which favors d-wave superconductivity, and a strong renormalization of the single-particle propagator, which suppresses superconductivity. In the region of the parameter space relevant for cuprate superconductors, we find that the buckling and the breathing phonons suppress the superconductivity.

  1. Phase diagrams of the Bose-Fermi-Hubbard model at finite temperature.

    PubMed

    Mysakovych, T S

    2010-09-08

    The phase transitions at finite temperatures in the systems described by the Bose-Fermi-Hubbard model are investigated in this work in the framework of the self-consistent random phase approximation. The case of the hard-core bosons is considered and the pseudospin formalism is used. The density-density correlator is calculated in the random phase approximation and the possibilities of transitions from superfluid to supersolid phases are investigated. It is shown that the transitions between uniform and charge-ordered phases can be of the second or the first order, depending on the system parameters.

  2. Phase diagram of the commensurate two-dimensional disordered Bose-Hubbard model.

    PubMed

    Söyler, S G; Kiselev, M; Prokof'ev, N V; Svistunov, B V

    2011-10-28

    We establish the full ground state phase diagram of the disordered Bose-Hubbard model in two dimensions at a unity filling factor via quantum Monte Carlo simulations. Similarly to the three-dimensional case we observe extended superfluid regions persisting up to extremely large values of disorder and interaction strength which, however, have small superfluid fractions and thus low transition temperatures. In the vicinity of the superfluid-insulator transition of the pure system, we observe an unexpectedly weak--almost not resolvable--sensitivity of the critical interaction to the strength of (weak) disorder.

  3. Prethermal Floquet Steady States and Instabilities in the Periodically Driven, Weakly Interacting Bose-Hubbard Model.

    PubMed

    Bukov, Marin; Gopalakrishnan, Sarang; Knap, Michael; Demler, Eugene

    2015-11-13

    We explore prethermal Floquet steady states and instabilities of the weakly interacting two-dimensional Bose-Hubbard model subject to periodic driving. We develop a description of the nonequilibrium dynamics, at arbitrary drive strength and frequency, using a weak-coupling conserving approximation. We establish the regimes in which conventional (zero-momentum) and unconventional [(π,π)-momentum] condensates are stable on intermediate time scales. We find that condensate stability is enhanced by increasing the drive strength, because this decreases the bandwidth of quasiparticle excitations and thus impedes resonant absorption and heating. Our results are directly relevant to a number of current experiments with ultracold bosons.

  4. Quench field sensitivity of two-particle correlation in a Hubbard model

    PubMed Central

    Zhang, X. Z.; Lin, S.; Song, Z.

    2016-01-01

    Short-range interaction can give rise to particle pairing with a short-range correlation, which may be destroyed in the presence of an external field. We study the transition between correlated and uncorrelated particle states in the framework of one- dimensional Hubbard model driven by a field. We show that the long time-scale transfer rate from an initial correlated state to final uncorrelated particle states is sensitive to the quench field strength and exhibits a periodic behavior. This process involves an irreversible energy transfer from the field to particles, leading to a quantum electrothermal effect. PMID:27250080

  5. Ground-state fidelity and bipartite entanglement in the Bose-Hubbard model.

    PubMed

    Buonsante, P; Vezzani, A

    2007-03-16

    We analyze the quantum phase transition in the Bose-Hubbard model borrowing two tools from quantum-information theory, i.e., the ground-state fidelity and entanglement measures. We consider systems at unitary filling comprising up to 50 sites and show for the first time that a finite-size scaling analysis of these quantities provides excellent estimates for the quantum critical point. We conclude that fidelity is particularly suited for revealing a quantum phase transition and pinning down the critical point thereof, while the success of entanglement measures depends on the mechanisms governing the transition.

  6. Signatures of the Mott transition in the antiferromagnetic state of the two-dimensional Hubbard model

    DOE PAGES

    Fratino, L.; Sémon, P.; Charlebois, M.; ...

    2017-06-06

    The properties of a phase with large correlation length can be strongly influenced by the underlying normal phase. Here, we illustrate this by studying the half-filled two-dimensional Hubbard model using cellular dynamical mean-field theory with continuous-time quantum Monte Carlo. Sharp crossovers in the mechanism that favors antiferromagnetic correlations and in the corresponding local density of states are observed. We found that these crossovers occur at values of the interaction strength U and temperature T that are controlled by the underlying normal-state Mott transition.

  7. Phase separation and pairing regimes in the one-dimensional asymmetric Hubbard model

    SciTech Connect

    Barbiero, L.; Casadei, M.; Dalmonte, M.; Ercolessi, E.; Ortolani, F.

    2010-06-01

    We address some open questions regarding the phase diagram of the one-dimensional Hubbard model with asymmetric hopping coefficients and balanced species. In the attractive regime we present a numerical study of the passage from on-site pairing dominant correlations at small asymmetries to charge-density waves in the region with markedly different hopping coefficients. In the repulsive regime we exploit two analytical treatments in the strong- and weak-coupling regimes in order to locate the onset of phase separation at small and large asymmetries, respectively.

  8. Signatures of the Mott transition in the antiferromagnetic state of the two-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Fratino, L.; Sémon, P.; Charlebois, M.; Sordi, G.; Tremblay, A.-M. S.

    2017-06-01

    The properties of a phase with large correlation length can be strongly influenced by the underlying normal phase. We illustrate this by studying the half-filled two-dimensional Hubbard model using cellular dynamical mean-field theory with continuous-time quantum Monte Carlo. Sharp crossovers in the mechanism that favors antiferromagnetic correlations and in the corresponding local density of states are observed. These crossovers occur at values of the interaction strength U and temperature T that are controlled by the underlying normal-state Mott transition.

  9. Topological phases characterized by spin Chern number and skyrmion number in triangular Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Guo, Long-Fei; Li, Peng

    2017-08-01

    Topological phases are important topics in condensed matter physics. Here, we investigate a spin-orbit coupling Bose-Hubbard model in triangular lattice. In the strong coupling limit, we obtained the single particle Green’s function and constructed the phase diagram for ground states. We found two types of nontrivial topological ground phases characterized by spin Chern number and skyrmion number, respectively. The spin Chern numbers characterize the spin Chern insulators. While the skyrmion numbers characterize the skyrmion textures. We show that the phase transitions between different spin Chern insulators take place with gap closing and reopening. While the phase transitions between different skyrmion textures occur without gap closing.

  10. Spontaneously Symmetry-Breaking States in the Attractive SU(N) Hubbard Model

    NASA Astrophysics Data System (ADS)

    Koga, Akihisa; Yanatori, Hiromasa

    2017-03-01

    We investigate spontaneously symmetry-breaking states in the attractive SU(N) Hubbard model at half filling. Combining dynamical mean-field theory with the continuous-time quantum Monte Carlo method, we obtain finite-temperature phase diagrams for the superfluid state. When N > 2, a second-order phase transition occurs in the weak coupling region, while a first-order phase transition with hysteresis appears in the strong coupling region. We also discuss the stability of the density wave state and clarify the component dependence of the maximum critical temperature.

  11. Ultralong-range order in the Fermi-Hubbard model with long-range interactions

    NASA Astrophysics Data System (ADS)

    van Loon, Erik G. C. P.; Katsnelson, Mikhail I.; Lemeshko, Mikhail

    2015-08-01

    We use the dual boson approach to reveal the phase diagram of the Fermi-Hubbard model with long-range dipole-dipole interactions. By using a large-scale finite-temperature calculation on a 64 ×64 square lattice we demonstrate the existence of a novel phase, possessing an "ultralong-range" order. The fingerprint of this phase—the density correlation function—features a nontrivial behavior on a scale of tens of lattice sites. We study the properties and the stability of the ultralong-range-ordered phase, and show that it is accessible in modern experiments with ultracold polar molecules and magnetic atoms.

  12. Metal-Insulator Transition in the Hubbard Model: Correlations and Spiral Magnetic Structures

    NASA Astrophysics Data System (ADS)

    Timirgazin, Marat A.; Igoshev, Petr A.; Arzhnikov, Anatoly K.; Irkhin, Valentin Yu.

    2016-12-01

    The metal-insulator transition (MIT) for the square, simple cubic, and body-centered cubic lattices is investigated within the t-t^' Hubbard model at half-filling by using both the generalized for the case of spiral order Hartree-Fock approximation (HFA) and Kotliar-Ruckenstein slave-boson approach. It turns out that the magnetic scenario of MIT becomes superior over the non-magnetic one. The electron correlations lead to some suppression of the spiral phases in comparison with HFA. We found the presence of a metallic antiferromagnetic (spiral) phase in the case of three-dimensional lattices.

  13. 2-D Magnetohydrodynamic Modeling of A Pulsed Plasma Thruster

    NASA Technical Reports Server (NTRS)

    Thio, Y. C. Francis; Cassibry, J. T.; Wu, S. T.; Rodgers, Stephen L. (Technical Monitor)

    2002-01-01

    Experiments are being performed on the NASA Marshall Space Flight Center (MSFC) MK-1 pulsed plasma thruster. Data produced from the experiments provide an opportunity to further understand the plasma dynamics in these thrusters via detailed computational modeling. The detailed and accurate understanding of the plasma dynamics in these devices holds the key towards extending their capabilities in a number of applications, including their applications as high power (greater than 1 MW) thrusters, and their use for producing high-velocity, uniform plasma jets for experimental purposes. For this study, the 2-D MHD modeling code, MACH2, is used to provide detailed interpretation of the experimental data. At the same time, a 0-D physics model of the plasma initial phase is developed to guide our 2-D modeling studies.

  14. One-dimensional pair hopping and attractive Hubbard models: A comparative study

    SciTech Connect

    van den Bossche, M.; Caffarel, M.

    1996-12-01

    The low-energy physics of the one-dimensional pair hopping (PH) and attractive Hubbard models are expected to be similar. Based on numerical calculations on small chains, several authors have recently challenged this idea and predicted the existence of a phase transition at half filling and finite positive coupling for the pair-hopping model. We reexamine the controversy by making systematic comparisons between numerical results obtained for the PH and attractive Hubbard models. To do so, we have calculated the Luttinger parameters (spin and charge velocities, stiffnesses, etc.) of the two models using both the density matrix renormalization-group method for large systems and Lancz{acute o}s calculations with twisted boundary conditions for smaller systems. Although most of our results confirm that both models are very similar we have found some important differences in the spin properties for the small sizes considered by previous numerical studies (6{endash}12 sites). However, we show that these differences disappear at larger sizes (14{endash}42 sites) when sufficiently accurate eigenstates are considered. Accordingly, our results strongly suggest that the ground-state phase transition previously found for small systems is a finite size artifact. Interpreting our results within the framework of the Luttinger liquid theory, we discuss the origin of the apparent contradiction between the predictions of the perturbative renormalization-group approach and numerical calculations at small sizes. {copyright} {ital 1996 The American Physical Society.}

  15. Flow transitions in a 2D directional solidification model

    NASA Technical Reports Server (NTRS)

    Larroude, Philippe; Ouazzani, Jalil; Alexander, J. Iwan D.

    1992-01-01

    Flow transitions in a Two Dimensional (2D) model of crystal growth were examined using the Bridgman-Stockbarger me thod. Using a pseudo-spectral Chebyshev collocation method, the governing equations yield solutions which exhibit a symmetry breaking flow tansition and oscillatory behavior indicative of a Hopf bifurcation at higher values of Ra. The results are discussed from fluid dynamic viewpoint, and broader implications for process models are also addressed.

  16. Numerical modelling of spallation in 2D hydrodynamics codes

    NASA Astrophysics Data System (ADS)

    Maw, J. R.; Giles, A. R.

    1996-05-01

    A model for spallation based on the void growth model of Johnson has been implemented in 2D Lagrangian and Eulerian hydrocodes. The model has been extended to treat complete separation of material when voids coalesce and to describe the effects of elevated temperatures and melting. The capabilities of the model are illustrated by comparison with data from explosively generated spall experiments. Particular emphasis is placed on the prediction of multiple spall effects in weak, low melting point, materials such as lead. The correlation between the model predictions and observations on the strain rate dependence of spall strength is discussed.

  17. Non-destructively probing matter-photon correlations described by the Dicke-Hubbard Lattice model

    NASA Astrophysics Data System (ADS)

    Rajaram, Sara; Trivedi, Nandini

    2012-02-01

    The Dicke-Hubbard Lattice (DHL) Hamiltonian is a prototypical system to study photon matter entanglement across a symmetry breaking quantum phase transition in the matter subsystem. The model describes a cavity containing a periodic lattice, with a single mode photon field delocalized across the cavity. Like the Bose-Hubbard model, the Hamiltonian includes on-site repulsion between atoms and nearest neighbor hopping of an atom from one site to another. In addition, matter-light coupling in the DHL model can excite an atom to a higher band by absorbing a photon and the reverse process. We focus on the DHL model in a region of parameter space in which light is ``superradiant'' and matter is either a Mott-insulator or superfluid of both bands. Through mean field, exact diagonalization, and quantum Monte Carlo calculations we examine photon statistics across the matter quantum phase transition in order to elucidate how the photon statistics reflect the matter correlations. Doing so provides a novel technique to non-destructively probe the Mott-insulator to superfluid phase transition.

  18. Ballistic transport in the one-dimensional Hubbard model: The hydrodynamic approach

    NASA Astrophysics Data System (ADS)

    Ilievski, Enej; De Nardis, Jacopo

    2017-08-01

    We outline a general formalism of hydrodynamics for quantum systems with multiple particle species which undergo completely elastic scattering. In the thermodynamic limit, the complete kinematic data of the problem consist of the particle content, the dispersion relations, and a universal dressing transformation which accounts for interparticle interactions. We consider quantum integrable models and we focus on the one-dimensional fermionic Hubbard model. By linearizing hydrodynamic equations, we provide exact closed-form expressions for Drude weights, generalized static charge susceptibilities, and charge-current correlators valid on the hydrodynamic scale, represented as integral kernels operating diagonally in the space of mode numbers of thermodynamic excitations. We find that, on hydrodynamic scales, Drude weights manifestly display Onsager reciprocal relations even for generic (i.e., noncanonical) equilibrium states, and establish a generalized detailed balance condition for a general quantum integrable model. We present exact analytic expressions for the general Drude weights in the Hubbard model, and explain how to reconcile different approaches for computing Drude weights from the previous literature.

  19. Low-lying Photoexcited States of a One-Dimensional Ionic Extended Hubbard Model

    NASA Astrophysics Data System (ADS)

    Yokoi, Kota; Maeshima, Nobuya; Hino, Ken-ichi

    2017-10-01

    We investigate the properties of low-lying photoexcited states of a one-dimensional (1D) ionic extended Hubbard model at half-filling. Numerical analysis by using the full and Lanczos diagonalization methods shows that, in the ionic phase, there exist low-lying photoexcited states below the charge transfer gap. As a result of comparison with numerical data for the 1D antiferromagnetic (AF) Heisenberg model, it was found that, for a small alternating potential Δ, these low-lying photoexcited states are spin excitations, which is consistent with a previous analytical study [Katsura et al., Phys. Rev. Lett. 103, 177402 (2009)]. As Δ increases, the spectral intensity of the 1D ionic extended Hubbard model rapidly deviates from that of the 1D AF Heisenberg model and it is clarified that this deviation is due to the neutral-ionic domain wall, an elementary excitation near the neutral-ionic transition point.

  20. Multimode Bose-Hubbard model for quantum dipolar gases in confined geometries

    NASA Astrophysics Data System (ADS)

    Cartarius, Florian; Minguzzi, Anna; Morigi, Giovanna

    2017-06-01

    We theoretically consider ultracold polar molecules in a wave guide. The particles are bosons: They experience a periodic potential due to an optical lattice oriented along the wave guide and are polarized by an electric field orthogonal to the guide axis. The array is mechanically unstable by opening the transverse confinement in the direction orthogonal to the polarizing electric field and can undergo a transition to a double-chain (zigzag) structure. For this geometry we derive a multimode generalized Bose-Hubbard model for determining the quantum phases of the gas at the mechanical instability, taking into account the quantum fluctuations in all directions of space. Our model limits the dimension of the numerically relevant Hilbert subspace by means of an appropriate decomposition of the field operator, which is obtained from a field theoretical model of the linear-zigzag instability. We determine the phase diagrams of small systems using exact diagonalization and find that, even for tight transverse confinement, the aspect ratio between the two transverse trap frequencies controls not only the classical but also the quantum properties of the ground state in a nontrivial way. Convergence tests at the linear-zigzag instability demonstrate that our multimode generalized Bose-Hubbard model can catch the essential features of the quantum phases of dipolar gases in confined geometries with a limited computational effort.

  1. Finite-temperature charge transport in the one-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Jin, F.; Steinigeweg, R.; Heidrich-Meisner, F.; Michielsen, K.; De Raedt, H.

    2015-11-01

    We study the charge conductivity of the one-dimensional repulsive Hubbard model at finite temperature using the method of dynamical quantum typicality, focusing at half filling. This numerical approach allows us to obtain current autocorrelation functions from systems with as many as 18 sites, way beyond the range of standard exact diagonalization. Our data clearly suggest that the charge Drude weight vanishes with a power law as a function of system size. The low-frequency dependence of the conductivity is consistent with a finite dc value and thus with diffusion, despite large finite-size effects. Furthermore, we consider the mass-imbalanced Hubbard model for which the charge Drude weight decays exponentially with system size, as expected for a nonintegrable model. We analyze the conductivity and diffusion constant as a function of the mass imbalance and we observe that the conductivity of the lighter component decreases exponentially fast with the mass-imbalance ratio. While in the extreme limit of immobile heavy particles, the Falicov-Kimball model, there is an effective Anderson-localization mechanism leading to a vanishing conductivity of the lighter species, we resolve finite conductivities for an inverse mass ratio of η ≳0.25 .

  2. Extended Bose Hubbard model of interacting bosonic atoms in optical lattices: From superfluidity to density waves

    SciTech Connect

    Mazzarella, G.; Giampaolo, S. M.; Illuminati, F.

    2006-01-15

    For systems of interacting, ultracold spin-zero neutral bosonic atoms, harmonically trapped and subject to an optical lattice potential, we derive an Extended Bose Hubbard (EBH) model by developing a systematic expansion for the Hamiltonian of the system in powers of the lattice parameters and of a scale parameter, the lattice attenuation factor. We identify the dominant terms that need to be retained in realistic experimental conditions, up to nearest-neighbor interactions and nearest-neighbor hoppings conditioned by the on-site occupation numbers. In the mean field approximation, we determine the free energy of the system and study the phase diagram both at zero and at finite temperature. At variance with the standard on site Bose Hubbard model, the zero-temperature phase diagram of the EBH model possesses a dual structure in the Mott insulating regime. Namely, for specific ranges of the lattice parameters, a density wave phase characterizes the system at integer fillings, with domains of alternating mean occupation numbers that are the atomic counterparts of the domains of staggered magnetizations in an antiferromagnetic phase. We show as well that in the EBH model, a zero-temperature quantum phase transition to pair superfluidity is, in principle, possible, but completely suppressed at the lowest order in the lattice attenuation factor. Finally, we determine the possible occurrence of the different phases as a function of the experimentally controllable lattice parameters.

  3. Antiferromagnetism in the Hubbard model using a cluster slave-spin method

    NASA Astrophysics Data System (ADS)

    Lee, Wei-Cheng; Lee, Ting-Kuo

    2017-09-01

    The cluster slave-spin method is introduced to systematically investigate the solutions of the Hubbard model including the symmetry-broken phases. In this method, the electron operator is factorized into a fermionic spinon describing the physical spin and a slave-spin describing the charge fluctuations. Following the U (1 ) formalism derived by Yu and Si [Phys. Rev. B 86, 085104 (2012), 10.1103/PhysRevB.86.085104], it is shown that the self-consistent equations to explore various symmetry-broken density wave states can be constructed in general with a cluster of multiple slave-spin sites. We employ this method to study the antiferromagnetic (AFM) state in the single band Hubbard model with the two- and four-site clusters of slave spins. While the Hubbard gap, the charge gap due to the doubly occupied states, scales with the Hubbard interaction U as expected, the AFM gap Δ , the gap in the spinon dispersion in the AFM state, exhibits a crossover from the weak- to strong-coupling behaviors as U increases. Our cluster slave-spin method reproduces not only the traditional mean-field behavior of Δ ˜U in the weak-coupling limit, but also the behavior of Δ ˜t2/U predicted by the superexchange mechanism in the strong-coupling limit. In addition, the holon-doublon correlator as functions of U and doping x is also computed, which exhibits a strong tendency toward the holon-doublon binding in the strong coupling regime. We further show that the quasiparticle weight obtained by the cluster slave-spin method is in a good agreement with the generalized Gutzwiller approximation in both AFM and paramagnetic states, and the results can be improved beyond the generalized Gutzwiller approximation as the cluster is enlarged from a single site to four sites. Our results demonstrate that the cluster slave-spin method can be a powerful tool to systematically investigate the strongly correlated system.

  4. From the Hubbard to a Plaquette Boson-Fermion Model for Cuprates

    NASA Astrophysics Data System (ADS)

    Altman, Ehud; Auerbach, Assa

    2002-03-01

    We describe a systematic approach to connect the microscopic physics of the Hubbard model to the phenomena of underdoped High Tc cuprate superconductors. We apply the Contractor Renormalization method of Morningstar and Weinstein to reduce the strongly interacting Hubbard model on the square lattice to the low energy Plaquette Boson Fermion Model (PBFM). The four bosons (an antiferromagnon triplet and a d-wave hole pair), and the fermions are defined by the lowest plaquette eigenstates. We compute the boson effective interactions, and the range-3 truncation error is found to be very small, signaling short hole-pair and magnon coherence lengths. The pair-hopping and magnon interactions are comparable, which explains the rapid destruction of antiferromagnetic order with emergence of superconductivity, and validates a key assumption of the projected SO(5) theory. A vacuum crossing at larger doping marks a transition into the overdoped regime. The PBFM includes hole fermions occupying small Fermi pockets and Andreev coupled to hole pair bosons. In mean field theory it exhibits a pairing gap near the nodes, which grows with Tc and a pseudogap with oposite doping dependence. The PBFM yields several testable predictions for photoemmission, tunneling asymmetry and thermodynamic measurements.

  5. Phase diagram of the t U2 Hamiltonian of the weak coupling Hubbard model

    NASA Astrophysics Data System (ADS)

    Yanagisawa, Takashi

    2008-02-01

    We determine the symmetry of Cooper pairs, on the basis of the perturbation theory in terms of the Coulomb interaction U, for the two-dimensional Hubbard model on the square lattice. The phase diagram is investigated in detail. The Hubbard model for small U is mapped on to an effective Hamiltonian with the attractive interaction using the canonical transformation: Heff = eSHe-S. The gap equation of the weak coupling formulation is solved without numerical ambiguity to determine the symmetry of Cooper pairs. The superconducting gap crucially depends on the position of the van Hove singularity. We show the phase diagram in the plane of the electron filling ne and the next nearest-neighbor transfer t'. The d-wave pairing is dominant for the square lattice in a wide range of ne and t'. The d-wave pairing is also stable for the square lattice with anisotropic t'. The three-band d-p model is also investigated, for which the d-wave pairing is stable in a wide range of ne and tpp (the transfer between neighboring oxygen atoms). In the weak coupling analysis, the second-neighbor transfer parameter -t' could not be so large so that the optimum doping rate is in the range of 0.8 < ne < 0.85.

  6. Dissipative preparation of antiferromagnetic order in the Fermi-Hubbard model

    NASA Astrophysics Data System (ADS)

    Kaczmarczyk, J.; Weimer, H.; Lemeshko, M.

    2016-09-01

    The Fermi-Hubbard model is one of the key models of condensed matter physics, which holds a potential for explaining the mystery of high-temperature superconductivity. Recent progress in ultracold atoms in optical lattices has paved the way to studying the model’s phase diagram using the tools of quantum simulation, which emerged as a promising alternative to the numerical calculations plagued by the infamous sign problem. However, the temperatures achieved using elaborate laser cooling protocols so far have been too high to show the appearance of antiferromagnetic (AF) and superconducting quantum phases directly. In this work, we demonstrate that using the machinery of dissipative quantum state engineering, one can observe the emergence of the AF order in the Fermi-Hubbard model with fermions in optical lattices. The core of the approach is to add incoherent laser scattering in such a way that the AF state emerges as the dark state of the driven-dissipative dynamics. The proposed controlled dissipation channels described in this work are straightforward to add to already existing experimental setups.

  7. NGMIX: Gaussian mixture models for 2D images

    NASA Astrophysics Data System (ADS)

    Sheldon, Erin

    2015-08-01

    NGMIX implements Gaussian mixture models for 2D images. Both the PSF profile and the galaxy are modeled using mixtures of Gaussians. Convolutions are thus performed analytically, resulting in fast model generation as compared to methods that perform the convolution in Fourier space. For the galaxy model, NGMIX supports exponential disks and de Vaucouleurs and Sérsic profiles; these are implemented approximately as a sum of Gaussians using the fits from Hogg & Lang (2013). Additionally, any number of Gaussians can be fit, either completely free or constrained to be cocentric and co-elliptical.

  8. Hubbard Model for Atomic Impurities Bound by the Vortex Lattice of a Rotating Bose-Einstein Condensate

    NASA Astrophysics Data System (ADS)

    Johnson, T. H.; Yuan, Y.; Bao, W.; Clark, S. R.; Foot, C.; Jaksch, D.

    2016-06-01

    We investigate cold bosonic impurity atoms trapped in a vortex lattice formed by condensed bosons of another species. We describe the dynamics of the impurities by a bosonic Hubbard model containing occupation-dependent parameters to capture the effects of strong impurity-impurity interactions. These include both a repulsive direct interaction and an attractive effective interaction mediated by the Bose-Einstein condensate. The occupation dependence of these two competing interactions drastically affects the Hubbard model phase diagram, including causing the disappearance of some Mott lobes.

  9. Hubbard Model for Atomic Impurities Bound by the Vortex Lattice of a Rotating Bose-Einstein Condensate.

    PubMed

    Johnson, T H; Yuan, Y; Bao, W; Clark, S R; Foot, C; Jaksch, D

    2016-06-17

    We investigate cold bosonic impurity atoms trapped in a vortex lattice formed by condensed bosons of another species. We describe the dynamics of the impurities by a bosonic Hubbard model containing occupation-dependent parameters to capture the effects of strong impurity-impurity interactions. These include both a repulsive direct interaction and an attractive effective interaction mediated by the Bose-Einstein condensate. The occupation dependence of these two competing interactions drastically affects the Hubbard model phase diagram, including causing the disappearance of some Mott lobes.

  10. Numerical 2D-modeling of multiroll leveling

    NASA Astrophysics Data System (ADS)

    Mathieu, N.; Potier-Ferry, M.; Zahrouni, H.

    2016-10-01

    Multiroll leveling is a forming process used in the metals industries (aluminum, steel, …) in order to correct flatness defects and minimize residual stresses in strips thanks to alternating bending. This work proposes a Finite Element 2D model to simulate the metal sheet conveying through the machine. Obtained results (plastic strain and residual stress distributions through thickness) are analysed. Strip deformation, after elastic springback and potential buckling, is also predicted (residual curvatures).

  11. Madelung and Hubbard interactions in polaron band model of doped organic semiconductors

    NASA Astrophysics Data System (ADS)

    Png, Rui-Qi; Ang, Mervin C. Y.; Teo, Meng-How; Choo, Kim-Kian; Tang, Cindy Guanyu; Belaineh, Dagmawi; Chua, Lay-Lay; Ho, Peter K. H.

    2016-09-01

    The standard polaron band model of doped organic semiconductors predicts that density-of-states shift into the π-π* gap to give a partially filled polaron band that pins the Fermi level. This picture neglects both Madelung and Hubbard interactions. Here we show using ultrahigh workfunction hole-doped model triarylamine-fluorene copolymers that Hubbard interaction strongly splits the singly-occupied molecular orbital from its empty counterpart, while Madelung (Coulomb) interactions with counter-anions and other carriers markedly shift energies of the frontier orbitals. These interactions lower the singly-occupied molecular orbital band below the valence band edge and give rise to an empty low-lying counterpart band. The Fermi level, and hence workfunction, is determined by conjunction of the bottom edge of this empty band and the top edge of the valence band. Calculations are consistent with the observed Fermi-level downshift with counter-anion size and the observed dependence of workfunction on doping level in the strongly doped regime.

  12. Phonon spectral function of the one-dimensional Holstein-Hubbard model

    NASA Astrophysics Data System (ADS)

    Weber, Manuel; Assaad, Fakher F.; Hohenadler, Martin

    2015-06-01

    We use the continuous-time interaction expansion (CT-INT) quantum Monte Carlo method to calculate the phonon spectral function of the one-dimensional Holstein-Hubbard model at half-filling. Our results are consistent with a soft-mode Peierls transition in the adiabatic regime, and the existence of a central peak related to long-range order in the Peierls phase. We explain a previously observed feature at small momenta in terms of a hybridization of charge and phonon excitations. Tuning the system from a Peierls to a metallic phase with a nonzero Hubbard interaction suppresses the central peak, but a significant renormalization of the phonon dispersion remains. In contrast, the dispersion is only weakly modified in the Mott phase. We discuss finite-size effects, the relation to the dynamic charge structure factor, as well as additional sum rules and their implications. Finally, we reveal the existence of a discrete symmetry in a continuum field theory of the Holstein model, which is spontaneously broken in the Peierls phase.

  13. Nonlocal correlations in the orbital selective Mott phase of a one-dimensional multiorbital Hubbard model

    DOE PAGES

    Li, S.; Kaushal, N.; Wang, Y.; ...

    2016-12-12

    Here, we study nonlocal correlations in a three-orbital Hubbard model defined on an extended one-dimensional chain using determinant quantum Monte Carlo and density matrix renormalization group methods. We focus on a parameter regime with robust Hund's coupling, which produces an orbital selective Mott phase (OSMP) at intermediate values of the Hubbard U, as well as an orbitally ordered ferromagnetic insulating state at stronger coupling. An examination of the orbital- and spin-correlation functions indicates that the orbital ordering occurs before the onset of magnetic correlations in this parameter regime as a function of temperature. In the OSMP, we find that themore » self-energy for the itinerant electrons is momentum dependent, indicating a degree of nonlocal correlations while the localized electrons have largely momentum independent self-energies. These nonlocal correlations also produce relative shifts of the holelike and electronlike bands within our model. The overall momentum dependence of these quantities is strongly suppressed in the orbitally ordered insulating phase.« less

  14. Nonlocal correlations in the orbital selective Mott phase of a one-dimensional multiorbital Hubbard model

    SciTech Connect

    Li, S.; Kaushal, N.; Wang, Y.; Tang, Y.; Alvarez, G.; Nocera, Alberto; Maier, T. A.; Dagotto, E.; Johnston, S.

    2016-12-12

    Here, we study nonlocal correlations in a three-orbital Hubbard model defined on an extended one-dimensional chain using determinant quantum Monte Carlo and density matrix renormalization group methods. We focus on a parameter regime with robust Hund's coupling, which produces an orbital selective Mott phase (OSMP) at intermediate values of the Hubbard U, as well as an orbitally ordered ferromagnetic insulating state at stronger coupling. An examination of the orbital- and spin-correlation functions indicates that the orbital ordering occurs before the onset of magnetic correlations in this parameter regime as a function of temperature. In the OSMP, we find that the self-energy for the itinerant electrons is momentum dependent, indicating a degree of nonlocal correlations while the localized electrons have largely momentum independent self-energies. These nonlocal correlations also produce relative shifts of the holelike and electronlike bands within our model. The overall momentum dependence of these quantities is strongly suppressed in the orbitally ordered insulating phase.

  15. Madelung and Hubbard interactions in polaron band model of doped organic semiconductors

    PubMed Central

    Png, Rui-Qi; Ang, Mervin C.Y.; Teo, Meng-How; Choo, Kim-Kian; Tang, Cindy Guanyu; Belaineh, Dagmawi; Chua, Lay-Lay; Ho, Peter K.H.

    2016-01-01

    The standard polaron band model of doped organic semiconductors predicts that density-of-states shift into the π–π* gap to give a partially filled polaron band that pins the Fermi level. This picture neglects both Madelung and Hubbard interactions. Here we show using ultrahigh workfunction hole-doped model triarylamine–fluorene copolymers that Hubbard interaction strongly splits the singly-occupied molecular orbital from its empty counterpart, while Madelung (Coulomb) interactions with counter-anions and other carriers markedly shift energies of the frontier orbitals. These interactions lower the singly-occupied molecular orbital band below the valence band edge and give rise to an empty low-lying counterpart band. The Fermi level, and hence workfunction, is determined by conjunction of the bottom edge of this empty band and the top edge of the valence band. Calculations are consistent with the observed Fermi-level downshift with counter-anion size and the observed dependence of workfunction on doping level in the strongly doped regime. PMID:27582355

  16. Nonlocal correlations in the orbital selective Mott phase of a one-dimensional multiorbital Hubbard model

    NASA Astrophysics Data System (ADS)

    Li, S.; Kaushal, N.; Wang, Y.; Tang, Y.; Alvarez, G.; Nocera, A.; Maier, T. A.; Dagotto, E.; Johnston, S.

    2016-12-01

    We study nonlocal correlations in a three-orbital Hubbard model defined on an extended one-dimensional chain using determinant quantum Monte Carlo and density matrix renormalization group methods. We focus on a parameter regime with robust Hund's coupling, which produces an orbital selective Mott phase (OSMP) at intermediate values of the Hubbard U , as well as an orbitally ordered ferromagnetic insulating state at stronger coupling. An examination of the orbital- and spin-correlation functions indicates that the orbital ordering occurs before the onset of magnetic correlations in this parameter regime as a function of temperature. In the OSMP, we find that the self-energy for the itinerant electrons is momentum dependent, indicating a degree of nonlocal correlations while the localized electrons have largely momentum independent self-energies. These nonlocal correlations also produce relative shifts of the holelike and electronlike bands within our model. The overall momentum dependence of these quantities is strongly suppressed in the orbitally ordered insulating phase.

  17. Twisted Hubbard model for Sr2IrO4: magnetism and possible high temperature superconductivity.

    PubMed

    Wang, Fa; Senthil, T

    2011-04-01

    Sr(2)IrO(4) has been suggested as a Mott insulator from a single J(eff)=1/2 band, similar to the cuprates. However, this picture is complicated by the measured large magnetic anisotropy and ferromagnetism. Based on a careful mapping to the J(eff)=1/2 (pseudospin-1/2) space, we propose that the low energy electronic structure of Sr(2)IrO(4) can indeed be described by a SU(2) invariant pseudospin-1/2 Hubbard model very similar to that of the cuprates, but with a twisted coupling to an external magnetic field (a g tensor with a staggered antisymmetric component). This perspective naturally explains the magnetic properties of Sr(2)IrO(4). We also derive several simple facts based on this mapping and the known results about the Hubbard model and the cuprates, which may be tested in future experiments on Sr(2)IrO(4). In particular, we propose that (electron-)doping Sr(2)IrO(4) can potentially realize high-temperature superconductivity.

  18. Quantum Phase Transition and Local Entanglement in Extended Hubbard Model on Anisotropic Triangular Lattices

    NASA Astrophysics Data System (ADS)

    Gao, Ji-Ming; Tang, Rong-An; Zhang, Zheng-Mei; Xue, Ju-Kui

    2016-11-01

    Using a mean-field theory based upon Hartree—Fock approximation, we theoretically investigate the competition between the metallic conductivity, spin order and charge order phases in a two-dimensional half-filled extended Hubbard model on anisotropic triangular lattice. Bond order, double occupancy, spin and charge structure factor are calculated, and the phase diagram of the extended Hubbard model is presented. It is found that the interplay of strong interaction and geometric frustration leads to exotic phases, the charge fluctuation is enhanced and three kinds of charge orders appear with the introduction of the nearest-neighbor interaction. Moreover, for different frustrations, it is also found that the antiferromagnetic insulating phase and nonmagnetic insulating phase are rapidly suppressed, and eventually disappeared as the ratio between the nearest-neighbor interaction and on-site interaction increases. This indicates that spin order is also sensitive to the nearest-neighbor interaction. Finally, the single-site entanglement is calculated and it is found that a clear discontinuous of the single-site entanglement appears at the critical points of the phase transition. Supported by National Natural Science Foundation of China under Grant Nos.11274255, 11475027 and 11305132, Specialized Research Fund for the Doctoral Program of Higher Education of China under Grant No. 20136203110001, and Technology of Northwest Normal University, China under Grants No. NWNU-LKQN-11-26

  19. Hidden fermionic excitation in the superconductivity of the strongly attractive Hubbard model

    NASA Astrophysics Data System (ADS)

    Sakai, Shiro; Civelli, Marcello; Nomura, Yusuke; Imada, Masatoshi

    2015-11-01

    We study the attractive Hubbard model within the dynamical mean-field theory, to elucidate how the pseudogap and superconductivity at strong attractive interaction are related to those found in the repulsive Hubbard model, and thereby to bridge cold fermions and cuprate high-temperature superconductors from a microscopic point of view. We propose that a unified understanding is obtained by investigating single-particle excitation dynamics, in which emergent and hidden fermions coupled to quasiparticles consistently account for the numerical results in both attractive and repulsive cases. In the attractive case, the quasiparticle dynamics is observable by virtually breaking a tightly bound pair, where we find two qualitatively different regions crossing over each other within the strong-coupling superconductivity phase. Among them, the region close to the critical temperature shares characteristic dynamics with the repulsive interaction case, where the normal and anomalous parts of the self-energy show strong low-energy peaks while they are hidden in the quasiparticle spectral weight. These prominent self-energy peaks are understood by the coupling of the quasiparticle to the hidden fermionic excitation, emergent from a strong-coupling effect. The pseudogap above the critical temperature is also accounted for by the same hidden fermion.

  20. Hybrid-space density matrix renormalization group study of the doped two-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Ehlers, G.; White, S. R.; Noack, R. M.

    2017-03-01

    The performance of the density matrix renormalization group (DMRG) is strongly influenced by the choice of the local basis of the underlying physical lattice. We demonstrate that, for the two-dimensional Hubbard model, the hybrid-real-momentum-space formulation of the DMRG is computationally more efficient than the standard real-space formulation. In particular, we show that the computational cost for fixed bond dimension of the hybrid-space DMRG is approximately independent of the width of the lattice, in contrast to the real-space DMRG, for which it is proportional to the width squared. We apply the hybrid-space algorithm to calculate the ground state of the doped two-dimensional Hubbard model on cylinders of width four and six sites; at n =0.875 filling, the ground state exhibits a striped charge-density distribution with a wavelength of eight sites for both U /t =4.0 and 8.0 . We find that the strength of the charge ordering depends on U /t and on the boundary conditions. Furthermore, we investigate the magnetic ordering as well as the decay of the static spin, charge, and pair-field correlation functions.

  1. Influence of Elevation Data Source on 2D Hydraulic Modelling

    NASA Astrophysics Data System (ADS)

    Bakuła, Krzysztof; StĘpnik, Mateusz; Kurczyński, Zdzisław

    2016-08-01

    The aim of this paper is to analyse the influence of the source of various elevation data on hydraulic modelling in open channels. In the research, digital terrain models from different datasets were evaluated and used in two-dimensional hydraulic models. The following aerial and satellite elevation data were used to create the representation of terrain-digital terrain model: airborne laser scanning, image matching, elevation data collected in the LPIS, EuroDEM, and ASTER GDEM. From the results of five 2D hydrodynamic models with different input elevation data, the maximum depth and flow velocity of water were derived and compared with the results of the most accurate ALS data. For such an analysis a statistical evaluation and differences between hydraulic modelling results were prepared. The presented research proved the importance of the quality of elevation data in hydraulic modelling and showed that only ALS and photogrammetric data can be the most reliable elevation data source in accurate 2D hydraulic modelling.

  2. Quench dynamics of the spin-imbalanced Fermi-Hubbard model in one dimension

    NASA Astrophysics Data System (ADS)

    Yin, Xiao; Radzihovsky, Leo

    2016-12-01

    We study a nonequilibrium dynamics of a one-dimensional spin-imbalanced Fermi-Hubbard model following a quantum quench of on-site interaction, realizable, for example, in Feshbach-resonant atomic Fermi gases. We focus on the post-quench evolution starting from the initial BCS and Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) ground states and analyze the corresponding spin-singlet, spin-triplet, density-density, and magnetization-magnetization correlation functions. We find that beyond a light-cone crossover time, rich post-quench dynamics leads to thermalized and pre-thermalized stationary states that display strong dependence on the initial ground state. For initially gapped BCS state, the long-time stationary state resembles thermalization with the effective temperature set by the initial value of the Hubbard interaction. In contrast, while the initial gapless FFLO state reaches a stationary pre-thermalized form, it remains far from equilibrium. We suggest that such post-quench dynamics can be used as a fingerprint for identification and study of the FFLO phase.

  3. Quantum phases of one-dimensional Hubbard models with three- and four-body couplings

    NASA Astrophysics Data System (ADS)

    Dolcini, Fabrizio; Montorsi, Arianna

    2013-09-01

    The experimental advances in cold atomic and molecular gases stimulate the investigation of lattice correlated systems beyond the conventional on-site Hubbard approximation, by possibly including multiparticle processes. We study fermionic extended Hubbard models in a one-dimensional lattice with different types of particle couplings, including also three- and four-body interactions up to nearest neighboring sites. By using the bosonization technique, we investigate the low-energy regime and determine the conditions for the appearance of ordered phases, for arbitrary particle filling. We find that three- and four-body couplings may significantly modify the phase diagram. In particular, diagonal three-body terms that directly couple the local particle densities have qualitatively different effects from off-diagonal three-body couplings originating from correlated hopping, and favor the appearance of a Luther-Emery phase even when two-body terms are repulsive. Furthermore, the four-body coupling gives rise to a rich phase diagram and may lead to the realization of the Haldane insulator phase at half-filling.

  4. Variational Study on Loop Currents in Bose Hubbard model with Staggered Flux

    NASA Astrophysics Data System (ADS)

    Toga, Y.; Yokoyama, H.

    In view of strongly interacting bosons in an optical lattice with a large gauge field, we study phase transitions in a two-dimensional Bose-Hubbard model with a staggered flux, on the basis of variational Monte Carlo calculations. Inthe trial states,besides typical onsite and intersite correlation factors, we introduce a configuration-dependent phase factor,which was recently found essential for treating current-carrying states. It is found that this phase factor is qualitativelyvitalfordescribing a Mott insulating (MI) state in the present model. Thereby, the Peierls phasesattached in relevant hopping processes are cancelled out. As a result, local currents completely suppressed in MI states, namely, a chiral Mott state does not appear for the square lattice, in contrast tothecorresponding two-leg ladder model. In addition, we discuss other features of the first-order superfluid-MI transition in this model.

  5. Long-range orders and spin/orbital freezing in the two-band Hubbard model

    NASA Astrophysics Data System (ADS)

    Steiner, Karim; Hoshino, Shintaro; Nomura, Yusuke; Werner, Philipp

    2016-08-01

    We solve the orbitally degenerate two-band Hubbard model within dynamical mean field theory and map out the instabilities to various symmetry-broken phases based on an analysis of the corresponding lattice susceptibilities. Phase diagrams as a function of the Hund coupling parameter J are obtained both for the model with rotationally invariant interaction and for the model with Ising-type anisotropy. For negative J , an intraorbital spin-singlet superconducting phase appears at low temperatures, while the normal state properties are characterized by an orbital-freezing phenomenon. This is the negative-J analog of the recently discovered fluctuating-moment induced s -wave spin-triplet superconductivity in the spin-freezing regime of multiorbital models with J >0 .

  6. Fracture surfaces of heterogeneous materials: A 2D solvable model

    NASA Astrophysics Data System (ADS)

    Katzav, E.; Adda-Bedia, M.; Derrida, B.

    2007-05-01

    Using an elastostatic description of crack growth based on the Griffith criterion and the principle of local symmetry, we present a stochastic model describing the propagation of a crack tip in a 2D heterogeneous brittle material. The model ensures the stability of straight cracks and allows for the study of the roughening of fracture surfaces. When neglecting the effect of the nonsingular stress, the problem becomes exactly solvable and yields analytic predictions for the power spectrum of the paths. This result suggests an alternative to the conventional power law analysis often used in the analysis of experimental data.

  7. From Nagaoka's Ferromagnetism to Flat-Band Ferromagnetism and Beyond --- An Introduction to Ferromagnetism in the Hubbard Model ---

    NASA Astrophysics Data System (ADS)

    Tasaki, H.

    1998-04-01

    It is believed that strong ferromagnetic interactions in some solids are generated by subtle interplay between quantum many-body effects and spin-independent Coulomb interactions between electrons. It is a challenging problem to verify this scenario in the Hubbard model, which is an idealized model for strongly interacting electrons in a solid. Nagaoka's ferromagnetism is a well-known rigorous example of ferromagnetism in the Hubbard model. It deals with the limiting situation in which there is one fewer electron than in the half-filling and the on-site Coulomb interaction is infinitely large. There are relatively new rigorous examples of ferromagnetism in Hubbard models called flat-band ferromagnetism. Flat-band ferromagnetism takes place in carefully prepared models in which the lowest bands (in the single-electron spectra) are ``flat.'' Usually, these two approaches are regarded as two complimentary routes to ferromagnetism in the Hubbard model. In the present paper we describe Nagaoka's ferromagnetism and flat-band ferromagnetism in detail, giving all the necessary background as well as complete (but elementary) mathematical proofs. By studying an intermediate model called the long-range hopping model, we also demonstrate that there is indeed a deep relation between these two seemingly different approaches to ferromagnetism. We further discuss some attempts to go beyond these approaches. We briefly discuss recent rigorous example of ferromagnetism in the Hubbard model which has neither infinitely large parameters nor completely flat bands. We give preliminary discussion regarding possible experimental realizations of the (nearly-)flat-band ferromagnetism. Finally, we focus on some theoretical attempts to understand metallic ferromagnetism. We discuss three artificial one-dimensional models in which the existence of metallic ferromagnetism can be easily proved. We have tried to make the present paper as self-contained as possible, keeping in mind readers who are

  8. Itinerant ferromagnetism in a Fermi gas with contact interaction: Magnetic properties in a dilute Hubbard model

    SciTech Connect

    Chang Chiachen; Zhang Shiwei; Ceperley, David M.

    2010-12-15

    Ground-state properties of the repulsive Hubbard model on a cubic lattice are investigated by means of the auxiliary-field quantum Monte Carlo method. We focus on low-density systems with varying on-site interaction U/t, as a model relevant to recent experiments on itinerant ferromagnetism in a dilute Fermi gas with contact interaction. Twist-average boundary conditions are used to eliminate open-shell effects and large lattice sizes are studied to reduce finite-size effects. The sign problem is controlled by a generalized constrained path approximation. We find no ferromagnetic phase transition in this model. The ground-state correlations are consistent with those of a paramagnetic Fermi liquid.

  9. Peculiar supersolid phases induced by frustrated tunneling in the extended Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Dong, Shao-Jun; Liu, Wenyuan; Zhou, Xiang-Fa; Guo, Guang-Can; Zhou, Zheng-Wei; Han, Yong-Jian; He, Lixin

    2017-07-01

    By using a state-of-the-art tensor network state method, we study the ground-state phase diagram of an extended Bose-Hubbard model on the square lattice with frustrated next-nearest-neighbor tunneling. In the hard-core limit, tunneling frustration stabilizes a peculiar half-supersolid phase with one sublattice being superfluid and the other sublattice being Mott insulator away from half filling. In the soft-core case, the model shows very rich phase diagrams above half filling, including three different types of supersolid phases depending on the interaction parameters. The considered model provides a promising route to experimentally search for a novel stable supersolid state induced by frustrated tunneling in the region below half filling with dipolar atoms or molecules.

  10. Optimal Hubbard models for materials with nonlocal Coulomb interactions: graphene, silicene, and benzene.

    PubMed

    Schüler, M; Rösner, M; Wehling, T O; Lichtenstein, A I; Katsnelson, M I

    2013-07-19

    To understand how nonlocal Coulomb interactions affect the phase diagram of correlated electron materials, we report on a method to approximate a correlated lattice model with nonlocal interactions by an effective Hubbard model with on-site interactions U(*) only. The effective model is defined by the Peierls-Feynman-Bogoliubov variational principle. We find that the local part of the interaction U is reduced according to U(*)=U-V[over ¯], where V[over ¯] is a weighted average of nonlocal interactions. For graphene, silicene, and benzene we show that the nonlocal Coulomb interaction can decrease the effective local interaction by more than a factor of 2 in a wide doping range.

  11. High-spin magnetic states in the two-orbital Hubbard model on a tetrahedron.

    PubMed

    Romano, Alfonso; Noce, Canio; Amendola, Maria Emilia

    2008-11-19

    We present a study of the two-orbital degenerate Hubbard model in which the exact numerical solution on a regular tetrahedron is obtained via suitable implementation of the symmetries generated by the spin, the pairing and the orbital pseudospin operators. In particular, we show that a large variety of high-spin magnetic ground states can develop away from half filling, depending on the values of the electron density and the parameters of the model. As the tetrahedron is the simplest finite-size cluster where hopping processes connect all pairs of sites with constant probability, the study is extended by providing the exact analytical solution of the model on an infinite lattice in the unconstrained hopping limit.

  12. Emulating the one-dimensional Fermi-Hubbard model by a double chain of qubits

    NASA Astrophysics Data System (ADS)

    Reiner, Jan-Michael; Marthaler, Michael; Braumüller, Jochen; Weides, Martin; Schön, Gerd

    2016-09-01

    The Jordan-Wigner transformation maps a one-dimensional (1D) spin-1 /2 system onto a fermionic model without spin degree of freedom. A double chain of quantum bits with X X and Z Z couplings of neighboring qubits along and between the chains, respectively, can be mapped on a spin-full 1D Fermi-Hubbard model. The qubit system can thus be used to emulate the quantum properties of this model. We analyze physical implementations of such analog quantum simulators, including one based on transmon qubits, where the Z Z interaction arises due to an inductive coupling and the X X interaction due to a capacitive interaction. We propose protocols to gain confidence in the results of the simulation through measurements of local operators.

  13. Quantum disordered insulating phase in the frustrated cubic-lattice Hubbard model

    NASA Astrophysics Data System (ADS)

    Laubach, Manuel; Joshi, Darshan G.; Reuther, Johannes; Thomale, Ronny; Vojta, Matthias; Rachel, Stephan

    2016-01-01

    In the quest for quantum spin liquids in three spatial dimensions (3D), we study the half-filled Hubbard model on the simple cubic lattice with hopping processes up to third neighbors. Employing the variational cluster approach (VCA), we determine the zero-temperature phase diagram: In addition to a paramagnetic metal at small interaction strength U and various antiferromagnetic insulators at large U , we find an intermediate-U antiferromagnetic metal. Most interestingly, we also identify a nonmagnetic insulating region, extending from intermediate to strong U . Using VCA results in the large-U limit, we establish the phase diagram of the corresponding J1-J2-J3 Heisenberg model. This is qualitatively confirmed—including the nonmagnetic region—using spin-wave theory. Further analysis reveals a striking similarity to the behavior of the J1-J2 square-lattice Heisenberg model, suggesting that the nonmagnetic region may host a 3D spin-liquid phase.

  14. Unitary matrix models and 2D quantum gravity

    SciTech Connect

    Dalley, S. . Joseph Henry Labs.); Johnson, C.V.; Morris, T.R. . Dept. of Physics); Watterstam, A. )

    1992-09-21

    In this paper the KdV and modified KdV integrable hierarchies are shown to be different descriptions of the same 2D gravitational system - open-closed string theory. Non-perturbative solutions of the multicritical unitary matrix models map to non-singular solutions of the renormalization group equation for the string susceptibility, [P, Q] = Q. The authors also demonstrate that the large-N solutions of unitary matrix integrals in external fields, studied by Gross and Newman, equal the non-singular pure closed-string solutions of [[bar P], Q] = Q.

  15. BCS Theory of Time-Reversal-Symmetric Hofstadter-Hubbard Model

    NASA Astrophysics Data System (ADS)

    Umucalılar, R. O.; Iskin, M.

    2017-08-01

    The competition between the length scales associated with the periodicity of a lattice potential and the cyclotron radius of a uniform magnetic field is known to have dramatic effects on the single-particle properties of a quantum particle, e.g., the fractal spectrum is known as the Hofstadter butterfly. Having this intricate competition in mind, we consider a two-component Fermi gas on a square optical lattice with opposite synthetic magnetic fields for the components, and study its effects on the many-body BCS-pairing phenomenon. By a careful addressing of the distinct superfluid transitions from the semimetal, quantum spin-Hall insulator, or normal phases, we explore the low-temperature phase diagrams of the model, displaying lobe structures that are reminiscent of the well-known Mott-insulator transitions of the Bose-Hubbard model.

  16. Ferromagnetism in multiband Hubbard models: From weak to strong Coulomb repulsion

    SciTech Connect

    Penc, K.; Shiba, H.; Mila, F.; Tsukagoshi, T.

    1996-08-01

    We propose a mechanism which can lead to ferromagnetism in Hubbard models containing triangles with different on-site energies. It is based on an effective Hamiltonian that we derive in the strong coupling limit. Considering a one-dimensional realization of the model, we show that in the quarter-filled, insulating case the ground state is actually ferromagnetic in a very large parameter range going from Tasaki{close_quote}s flatband limit to the strong coupling limit of the effective Hamiltonian. This result has been obtained using a variety of analytical and numerical techniques. Finally, the same results are shown to apply away from quarter-filling, in the metallic case. {copyright} {ital 1996 The American Physical Society.}

  17. Entanglement spectrum of the two-dimensional Bose-Hubbard model.

    PubMed

    Alba, Vincenzo; Haque, Masudul; Läuchli, Andreas M

    2013-06-28

    We study the entanglement spectrum (ES) of the Bose-Hubbard model on the two-dimensional square lattice at unit filling, both in the Mott insulating and in the superfluid phase. In the Mott phase, we demonstrate that the ES is dominated by the physics at the boundary between the two subsystems. On top of the boundary-local (perturbative) structure, the ES exhibits substructures arising from one-dimensional dispersions along the boundary. In the superfluid phase, the structure of the ES is qualitatively different, and reflects the spontaneously broken U(1) symmetry of the phase. We attribute the basic low-lying structure to the "tower of states" Hamiltonian of the model. We then discuss how these characteristic structures evolve across the superfluid to Mott insulator transition and their influence on the behavior of the entanglement entropies. We briefly outline the implications of the ES structure on the efficiency of matrix-product-state based algorithms in two dimensions.

  18. Negative differential conductivity and quantum statistical effects in a three-site Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Olsen, M. K.; Corney, J. F.

    2016-09-01

    The use of an electron beam to remove ultracold atoms from selected sites in an optical lattice has opened up new opportunities to study transport in quantum systems [R. Labouvie et al., Phys. Rev. Lett. 115, 050601 (2015), 10.1103/PhysRevLett.115.050601]. Inspired by this experimental result, we examine the effects of number difference, dephasing, and initial quantum statistics on the filling of an initially depleted middle well in the three-well inline Bose-Hubbard model. We find that the well-known phenomenon of macroscopic self-trapping is the main contributor to oscillatory negative differential conductivity in our model, with phase diffusion being a secondary effect. However, we find that phase diffusion is required for the production of direct atomic current, with the coherent process showing damped oscillatory currents. We also find that our results are highly dependent on the initial quantum states of the atoms in the system.

  19. Out of equilibrium spatio-temporal correlations in the Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Kennett, Malcolm; Fitzpatrick, Matthew

    2016-05-01

    The Bose-Hubbard model (BHM) provides a model system to study quench dynamics across a quantum phase transition. Theoretically, it has proven challenging to study spatio-temporal correlations in the BHM in dimensions higher than one. We use the Schwinger-Keldysh technique and a strong-coupling expansion to develop a two-particle irreducible formalism to allow us to study spatio-temporal correlations in both the superfluid (SF) and Mott-insulating (MI) regimes during a quantum quench for dimensions higher than one. We obtain equations of motion for both the superfluid order parameter and two-point correlation functions and present numerical results for the evolution of two-time correlation functions. We relate our results to experiments on cold atoms in optical lattices. Supported by NSERC.

  20. Effective doublon and hole temperatures in the photo-doped dynamic Hubbard model

    PubMed Central

    Werner, Philipp; Eckstein, Martin

    2015-01-01

    Hirsch's dynamic Hubbard model describes the effect of orbital expansion with occupancy by coupling the doublon operator to an auxiliary boson. In the Mott insulating phase, empty sites (holes) and doubly occupied orbitals (doublons) become charge carriers on top of the half-filled background. We use the nonequilibrium dynamical mean field method to study the properties of photo-doped doublons and holes in this model in the strongly correlated regime. In particular, we discuss how photodoping leads to doublon and hole populations with different effective temperatures, and we analyze the relaxation behavior as a function of the boson coupling and boson energy. In the polaronic regime, the nontrivial energy exchange between doublons, holes, and bosons can result in a negative temperature distribution for the holes. PMID:26798834

  1. Thermodynamics of the Hubbard model on stacked honeycomb and square lattices

    NASA Astrophysics Data System (ADS)

    Imriška, Jakub; Gull, Emanuel; Troyer, Matthias

    2016-07-01

    We present a numerical study of the Hubbard model on simply stacked honeycomb and square lattices, motivated by a recent experimental realization of such models with ultracold atoms in optical lattices. We perform simulations with different interlayer coupling and interaction strengths and obtain Néel transition temperatures and entropies. We provide data for the equation of state to enable comparisons of experiments and theory. We find an enhancement of the short-range correlations in the anisotropic lattices compared to the isotropic cubic lattice, in parameter regimes suitable for the interaction driven adiabatic cooling. Supplementary material in the form of one zip file available from the Jounal web page at http://dx.doi.org/10.1140/epjb/e2016-70146-y

  2. Magnetic Correlations and Pairing in the 1/5-Depleted Square Lattice Hubbard Model

    DOE PAGES

    Khatemi, Ehsan; Singh, Rajiv R. P.; Pickett, Warren E.; ...

    2014-09-04

    We study the single-orbital Hubbard model on the 1/5-depleted square-lattice geometry, which arises in such diverse systems as the spin-gap magnetic insulator CaV4O9 and ordered-vacancy iron selenides, presenting new issues regarding the origin of both magnetic ordering and superconductivity in these materials. We find a rich phase diagram that includes a plaquette singlet phase, a dimer singlet phase, a Néel and a block-spin antiferromagnetic phase, and stripe phases. Quantum Monte Carlo simulations show that the dominant pairing correlations at half filling change character from d wave in the plaquette phase to extended s wave upon transition to the Néel phase.more » These findings have intriguing connections to iron-based superconductors, and suggest that some physics of multiorbital systems can be captured by a single-orbital model at different dopings.« less

  3. Orbital nematic instability in the two-orbital Hubbard model: renormalization-group + constrained RPA analysis.

    PubMed

    Tsuchiizu, Masahisa; Ohno, Yusuke; Onari, Seiichiro; Kontani, Hiroshi

    2013-08-02

    Motivated by the nematic electronic fluid phase in Sr(3)Ru(2)O(7), we develop a combined scheme of the renormalization-group method and the random-phase-approximation-type method, and analyze orbital susceptibilities of the (d(xz), d(yz))-orbital Hubbard model with high accuracy. It is confirmed that the present model exhibits a ferro-orbital instability near the magnetic or superconducting quantum criticality, due to the Aslamazov-Larkin-type vertex corrections. This mechanism of orbital nematic order presents a natural explanation for the nematic order in Sr(3)Ru(2)O(7), and is expected to be realized in various multiorbital systems, such as Fe-based superconductors.

  4. The one-dimensional asymmetric Hubbard model at partial band filling

    NASA Astrophysics Data System (ADS)

    Silva-Valencia, J.; Franco, R.; Figueira, M. S.

    2007-09-01

    We study the one-dimensional asymmetric Hubbard model (AHM) through the White's density matrix renormalization group technique at the density n=0.8. The AHM describes a correlated system where the hopping of electrons depend on their spin. The spin structure factor and the charge structure factor of heavy electrons were calculated as a function of the hopping and the repulsive on-site interaction. We found that the ground state displays phase separation for strong coupling, and a non-universal critical hopping separates the states of density wave and the phase separation. This outcome generalizes the result found one in the Falicov-Kimball model, which is a particular case of the AHM.

  5. Mott lobes of the S =1 Bose-Hubbard model with three-body interactions

    NASA Astrophysics Data System (ADS)

    Hincapie-F, A. F.; Franco, R.; Silva-Valencia, J.

    2016-09-01

    Using the density-matrix renormalization-group method, we studied the ground state of the one-dimensional S =1 Bose-Hubbard model with local three-body interactions, which can be a superfluid or a Mott insulator state. We drew the phase diagram of this model for both ferromagnetic and antiferromagnetic interaction. Regardless of the sign of the spin-dependent coupling, we obtained that the Mott lobes area decreases as the spin-dependent strength increases, which means that the even-odd asymmetry of the two-body antiferromagnetic chain is absent for local three-body interactions. For antiferromagnetic coupling, we found that the density drives first-order superfluid-Mott insulator transitions for even and odd lobes. Ferromagnetic Mott insulator and superfluid states were obtained with a ferromagnetic coupling, and a tendency to a "long-range" order was observed.

  6. Orientational bond and Néel order in the two-dimensional ionic Hubbard model

    NASA Astrophysics Data System (ADS)

    Hafez-Torbati, Mohsen; Uhrig, Götz S.

    2016-05-01

    Unconventional phases often occur where two competing mechanisms compensate. An excellent example is the ionic Hubbard model where the alternating local potential δ , favoring a band insulator (BI), competes with the local repulsion U , favoring a Mott insulator (MI). By continuous unitary transformations we derive effective models in which we study the softening of various excitons. The softening signals the instability towards new phases that we describe on the mean-field level. On increasing U from the BI in two dimensions, we find a bond-ordered phase breaking orientational symmetry due to a d -wave component. Then, antiferromagnetic order appears coexisting with the d -wave bond order. Finally, the d -wave order vanishes and a Néel-type MI persists.

  7. Phase Diagram of the Frustrated Square-Lattice Hubbard Model: Variational Cluster Approach

    NASA Astrophysics Data System (ADS)

    Misumi, Kazuma; Kaneko, Tatsuya; Ohta, Yukinori

    2016-06-01

    The variational cluster approximation is used to study the frustrated Hubbard model at half filling defined on the two-dimensional square lattice with anisotropic next-nearest-neighbor hopping parameters. We calculate the ground-state phase diagrams of the model in a wide parameter space for a variety of lattice geometries, including square, crossed-square, and triangular lattices. We examine the Mott metal-insulator transition and show that, in the Mott insulating phase, magnetic phases with Néel, collinear, and spiral orders appear in relevant parameter regions, and in an intermediate region between these phases, a nonmagnetic insulating phase caused by the quantum fluctuations in the geometrically frustrated spin degrees of freedom emerges.

  8. Nonequilibrium dynamics of the Bose-Hubbard model: a projection-operator approach.

    PubMed

    Trefzger, C; Sengupta, K

    2011-03-04

    We study the phase diagram and nonequilibrium dynamics involving ramp of the hopping amplitude J(t)=Jt/τ with ramp time τ of the Bose-Hubbard model at zero temperature using a projection-operator formalism which allows us to incorporate the effects of quantum fluctuations beyond mean-field approximations in the strong-coupling regime. Our formalism yields a phase diagram which provides a near exact match with quantum Monte Carlo results in three dimensions. We also compute the residual energy Q, the superfluid order parameter Δ(t), the equal-time order parameter correlation function C(t), and the wave function overlap F which yields the defect formation probability P during nonequilibrium dynamics of the model. We find that Q, F, and P do not exhibit the expected universal scaling. We explain this absence of universality and show that our results compare well with recent experiments.

  9. Competing Supersolid and Haldane Insulator Phases in the Extended One-Dimensional Bosonic Hubbard Model

    NASA Astrophysics Data System (ADS)

    Batrouni, G. G.; Scalettar, R. T.; Rousseau, V. G.; Grémaud, B.

    2013-06-01

    The Haldane insulator is a gapped phase characterized by an exotic nonlocal order parameter. The parameter regimes at which it might exist, and how it competes with alternate types of order, such as supersolid order, are still incompletely understood. Using the stochastic Green function quantum Monte Carlo algorithm and density matrix renormalization group, we study numerically the ground state phase diagram of the one-dimensional bosonic Hubbard model with contact and near neighbor repulsive interactions. We show that, depending on the ratio of the near neighbor to contact interactions, this model exhibits charge density waves, superfluid, supersolid, and the recently identified Haldane insulating phases. We show that the Haldane insulating phase exists only at the tip of the unit-filling charge density wave lobe and that there is a stable supersolid phase over a very wide range of parameters.

  10. Magnetic Correlations and Pairing in the 1/5-Depleted Square Lattice Hubbard Model

    SciTech Connect

    Khatemi, Ehsan; Singh, Rajiv R. P.; Pickett, Warren E.; Scalettar, Richardq T.

    2014-09-04

    We study the single-orbital Hubbard model on the 1/5-depleted square-lattice geometry, which arises in such diverse systems as the spin-gap magnetic insulator CaV4O9 and ordered-vacancy iron selenides, presenting new issues regarding the origin of both magnetic ordering and superconductivity in these materials. We find a rich phase diagram that includes a plaquette singlet phase, a dimer singlet phase, a Néel and a block-spin antiferromagnetic phase, and stripe phases. Quantum Monte Carlo simulations show that the dominant pairing correlations at half filling change character from d wave in the plaquette phase to extended s wave upon transition to the Néel phase. These findings have intriguing connections to iron-based superconductors, and suggest that some physics of multiorbital systems can be captured by a single-orbital model at different dopings.

  11. 2D Quantum Transport Modeling in Nanoscale MOSFETs

    NASA Technical Reports Server (NTRS)

    Svizhenko, Alexei; Anantram, M. P.; Govindan, T. R.; Biegel, B.

    2001-01-01

    We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions, oxide tunneling and phase-breaking scattering are treated on an equal footing. Electron bandstructure is treated within the anisotropic effective mass approximation. We present the results of our simulations of MIT 25 and 90 nm "well-tempered" MOSFETs and compare them to those of classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. These results are consistent with 1D Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and subthreshold current has been studied. The shorter gate length device has an order of magnitude smaller leakage current than the longer gate length device without a significant trade-off in on-current.

  12. 2D Quantum Transport Modeling in Nanoscale MOSFETs

    NASA Technical Reports Server (NTRS)

    Svizhenko, Alexei; Anantram, M. P.; Govindan, T. R.; Biegel, B.

    2001-01-01

    We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions, oxide tunneling and phase-breaking scattering are treated on an equal footing. Electron bandstructure is treated within the anisotropic effective mass approximation. We present the results of our simulations of MIT 25 and 90 nm "well-tempered" MOSFETs and compare them to those of classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. These results are consistent with 1D Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and subthreshold current has been studied. The shorter gate length device has an order of magnitude smaller leakage current than the longer gate length device without a significant trade-off in on-current.

  13. Quantum critical behavior in three-dimensional one-band Hubbard model at half-filling

    SciTech Connect

    Karchev, Naoum

    2013-06-15

    A one-band Hubbard model with hopping parameter t and Coulomb repulsion U is considered at half-filling. By means of the Schwinger bosons and slave fermions representation of the electron operators and integrating out the spin–singlet Fermi fields an effective Heisenberg model with antiferromagnetic exchange constant is obtained for vectors which identifies the local orientation of the spin of the itinerant electrons. The amplitude of the spin vectors is an effective spin of the itinerant electrons accounting for the fact that some sites, in the ground state, are doubly occupied or empty. Accounting adequately for the magnon–magnon interaction the Néel temperature is calculated. When the ratio t/U is small enough (t/U ≤0.09) the effective model describes a system of localized electrons. Increasing the ratio increases the density of doubly occupied states which in turn decreases the effective spin and Néel temperature. The phase diagram in the plane of temperature (T{sub N})/U and parameter t/U is presented. The quantum critical point (T{sub N}=0) is reached at t/U =0.9. The magnons in the paramagnetic phase are studied and the contribution of the magnons’ fluctuations to the heat capacity is calculated. At the Néel temperature the heat capacity has a peak which is suppressed when the system approaches a quantum critical point. It is important to stress that, at half-filling, the ground state, determined by fermions, is antiferromagnetic. The magnon fluctuations drive the system to quantum criticality and when the effective spin is critically small these fluctuations suppress the magnetic order. -- Highlights: •Technique of calculation is introduced which permits us to study the magnons’ fluctuations. •Quantum critical point is obtained in the one-band 3D Hubbard model at half-filling. •The present analytical results supplement the numerical ones (see Fig. 7)

  14. Drumhead model of 2D wetting, filling and wedge covariance

    NASA Astrophysics Data System (ADS)

    Abraham, D. B.; Parry, A. O.; Wood, A. J.

    2002-10-01

    Recent work has demonstrated novel fluid interfacial behaviour occurring at filling or wedge-wetting transitions in two- and three-dimensional systems. In particular, in two dimensions (2D) studies of filling in shallow wedges, for both pure and impure systems, reveal simple covariance relations which relate criticality at filling to strong-fluctuation regime wetting and restrict the allowed critical singularities. Here we introduce a drumhead interfacial model of filling in acute wedges which can be adapted to include an orientation-dependent surface tension. We calculate the excess wedge free energy and scaling form of the mid-point height probability distribution function (PDF) and demonstrate that the covariance relations are the same as found in the shallow wedge approximation. Connections with exact Ising model results and a bubble model interpretation of the interfacial height PDF at wetting are made.

  15. Model dielectric function for 2D semiconductors including substrate screening

    PubMed Central

    Trolle, Mads L.; Pedersen, Thomas G.; Véniard, Valerie

    2017-01-01

    Dielectric screening of excitons in 2D semiconductors is known to be a highly non-local effect, which in reciprocal space translates to a strong dependence on momentum transfer q. We present an analytical model dielectric function, including the full non-linear q-dependency, which may be used as an alternative to more numerically taxing ab initio screening functions. By verifying the good agreement between excitonic optical properties calculated using our model dielectric function, and those derived from ab initio methods, we demonstrate the versatility of this approach. Our test systems include: Monolayer hBN, monolayer MoS2, and the surface exciton of a 2 × 1 reconstructed Si(111) surface. Additionally, using our model, we easily take substrate screening effects into account. Hence, we include also a systematic study of the effects of substrate media on the excitonic optical properties of MoS2 and hBN. PMID:28117326

  16. 2D Numerical MHD Models of Solar Explosive Events

    NASA Astrophysics Data System (ADS)

    Roussev, I.

    2001-10-01

    Observations of the Sun reveal a great variety of dynamic phenomena interpretable as a manifestation of magnetic reconnection. These range from small-scale 'Explosive events' seen in the 'quiet' Sun, through violent flares observed in active regions. The high degree of complexity of the magnetic field inferred from observations may locally produce a fruitful environment for the process of magnetic reconnection to take place. Explosive events are associated with regions undergoing magnetic flux cancellation. This thesis presents a 2-dimensional (2D) numerical study devoted to explore the idea that the salient spectral signatures seen in explosive events are most probably caused by bi-directional outflow jets as a results of an ongoing magnetic reconnection. In order to provide qualitative results needed for the better physical interpretation of solar explosive events, several models intended to represent a 'quiet' Sun transition of solar explosive events, several models intended to represent a 'quiet' Sun transition region undergoing magnetic reconnection are examined, in both unstratified and gravitationally stratified atmospheres. The magnetic reconnection is initiated in an ad hoc manner, and the dynamic evolution is followed by numerically solving the equations of 2D dissipative magnetohydrodynamics (MHD), including the effects of field-aligned thermal conduction, radiative losses, volumetric heating, and anomalous resistivity.

  17. Cluster perturbation theory in Hubbard model exactly taking into account the short-range magnetic order in 2 x 2 cluster

    SciTech Connect

    Nikolaev, S. V. Ovchinnikov, S. G.

    2010-10-15

    The cluster perturbation theory is presented in the 2D Hubbard model constructed using X operators in the Hubbard-I approximation. The short-range magnetic order is taken into account by dividing the entire lattice into individual 2 x 2 clusters and solving the eigenvalue problem in an individual cluster using exact diagonalization taking into account all excited levels. The case of half-filling taking into account jumps between nearest neighbors is considered. As a result of numerical solution, a shadow zone is discovered in the quasiparticle spectrum. It is also found that a gap in the density of states in the quasiparticle spectrum at zero temperature exists for indefinitely small values of Coulomb repulsion parameter U and increases with this parameter. It is found that the presence of this gap in the spectrum is due to the formation of a short-range antiferromagnetic order. An analysis of the temperature evolution of the density of states shows that the metal-insulator transition occurs continuously. The existence of two characteristic energy scales at finite temperatures is demonstrated, the larger scale is associated with the formation of a pseudogap in the vicinity of the Fermi level, and the smaller scale is associated with the metal-insulator transition temperature. A peak in the density of states at the Fermi level, which is predicted in the dynamic mean field theory in the vicinity of the metal-insulator transition, is not observed.

  18. Competing phases, phase separation, and coexistence in the extended one-dimensional bosonic Hubbard model

    DOE PAGES

    Batrouni, G. G.; Rousseau, V. G.; Scalettar, R. T.; ...

    2014-11-17

    Here, we study the phase diagram of the one-dimensional bosonic Hubbard model with contact (U) and near neighbor (V ) interactions focusing on the gapped Haldane insulating (HI) phase which is characterized by an exotic nonlocal order parameter. The parameter regime (U, V and μ) where this phase exists and how it competes with other phases such as the supersolid (SS) phase, is incompletely understood. We use the Stochastic Green Function quantum Monte Carlo algorithm as well as the density matrix renormalization group to map out the phase diagram. The HI exists only at = 1, the SS phase existsmore » for a very wide range of parameters (including commensurate fillings) and displays power law decay in the one body Green function were our main conclusions. Additionally, we show that at fixed integer density, the system exhibits phase separation in the (U, V ) plane.« less

  19. Phase diagram and topological phases in the triangular lattice Kitaev-Hubbard model

    NASA Astrophysics Data System (ADS)

    Li, Kai; Yu, Shun-Li; Gu, Zhao-Long; Li, Jian-Xin

    2016-09-01

    We study the half-filled Hubbard model on a triangular lattice with spin-dependent Kitaev-like hopping. Using the variational cluster approach, we identify five phases: a metallic phase, a non-coplanar chiral magnetic order, a 120° magnetic order, a nonmagnetic insulator (NMI), and an interacting Chern insulator (CI) with a nonzero Chern number. The transition from CI to NMI is characterized by the change of the charge gap from an indirect band gap to a direct Mott gap. Based on the slave-rotor mean-field theory, the NMI phase is further suggested to be a gapless Mott insulator with a spinon Fermi surface or a fractionalized CI with nontrivial spinon topology, depending on the strength of the Kitaev-like hopping. Our work highlights the rising field in which interesting phases emerge from the interplay between band topology and Mott physics.

  20. Search for superconductivity in the two-dimensional Hubbard model using the Constrained Path Monte Carlo

    NASA Astrophysics Data System (ADS)

    Guerrero, M.; Ortiz, G.; Gubernatis, J. E.

    2000-05-01

    The search for a superconducting state in the two-dimensional one-band Hubbard model (HM) has been intense in the last few years. Monte Carlo methods, haunted by the infamous fermion sign problem, have been unable to study large enough systems and low enough temperatures. The Constrained Path Monte Carlo method (CPMC) evades the sign problem by introducing an approximate constraining state. We introduce a new formulation of the CPMC that allows the implementation of a whole family of generalized mean-field states as constraint, and calculate superconducting pairing correlation functions in the HM for lattices up to 12×12. We compare the results obtained using a BCS and a free-electron constraining wave-function. We find that the d-wave correlations are insensitive to the constraining state used.

  1. Dimensional-crossover-driven Mott transition in the frustrated Hubbard model.

    PubMed

    Raczkowski, Marcin; Assaad, Fakher F

    2012-09-21

    We study the Mott transition in a frustrated Hubbard model with next-nearest neighbor hopping at half-filling. The interplay between interaction, dimensionality, and geometric frustration closes the one-dimensional Mott gap and gives rise to a metallic phase with Fermi surface pockets. We argue that they emerge as a consequence of remnant one-dimensional umklapp scattering at the momenta with vanishing interchain hopping matrix elements. In this pseudogap phase, enhanced d-wave pairing correlations are driven by antiferromagnetic fluctuations. Within the adopted cluster dynamical mean-field theory on the 8 × 2 cluster and down to our lowest temperatures, the transition from one to two dimensions is continuous.

  2. Bose-Hubbard model: Relation between driven-dissipative steady states and equilibrium quantum phases

    NASA Astrophysics Data System (ADS)

    Le Boité, Alexandre; Orso, Giuliano; Ciuti, Cristiano

    2014-12-01

    We present analytical solutions for the mean-field master equation of the driven-dissipative Bose-Hubbard model for cavity photons, in the limit of both weak pumping and weak dissipation. Instead of pure Mott-insulator states, we find statistical mixtures with the same second-order coherence g(2 )(0 ) as a Fock state with n photons, but a mean photon number of n /2 . These mixed states occur when n pump photons have the same energy as n interacting photons inside the nonlinear cavity and survive up to a critical tunneling coupling strength, above which a crossover to a classical coherent state takes place. We also explain the origin of both antibunching and superbunching predicted by P-representation mean-field theory at higher pumping and dissipation. In particular, we show that the strongly correlated region of the associated phase diagram cannot be described within the semiclassical Gross-Pitaevskii approach.

  3. Ferromagnetism in the Hubbard model: Spin waves and instability of the Nagaoka state

    NASA Astrophysics Data System (ADS)

    Wurth, P.; Müller-Hartmann, E.

    We discuss two single spin flip variational wave functions describing spin wave excitations which were proposed earlier by Shastry, Krishnamurthy and Anderson (SKA) and by Basile and Elser (BE), respectively, in order to investigate the instability of the fully polarized ferromagnetic state (Nagaoka state) in the infinite U Hubbard model. We calculate the energy of these variational states for the square lattice and for multiple chains. At the zone boundary in the vicinity of the point (0, ) the spin wave energy is reduced substantially by the binding of the spin up hole to the flipped down spin. For the square lattice this leads to a critical hole density of cr = 0.407 for the SKA spin wave and of cr = 0.322 for the BE spin wave which implies remarkable improvements in comparison to the corresponding scattering states investigated previously.

  4. Orbital selective directional conductor in the two-orbital Hubbard model

    SciTech Connect

    Mukherjee, Anamitra; Patel, Niravkumar D.; Moreo, Adriana; Dagotto, Elbio

    2016-02-29

    Recently, we employed a developed many-body technique that allows for the incorporation of thermal effects, the rich phase diagram of a two-dimensional two-orbital (degenerate dxz and dyz) Hubbard model is presented varying temperature and the repulsion U. The main result is the finding at intermediate U of an antiferromagnetic orbital selective state where an effective dimensional reduction renders one direction insulating and the other metallic. Possible realizations of this state are discussed. Additionally, we also study nematicity above the N eel temperature. After a careful finite-size scaling analysis, the nematicity temperature window appears to survive in the bulk limit, although it is very narrow.

  5. Orbital selective directional conductor in the two-orbital Hubbard model

    DOE PAGES

    Mukherjee, Anamitra; Patel, Niravkumar D.; Moreo, Adriana; ...

    2016-02-29

    Recently, we employed a developed many-body technique that allows for the incorporation of thermal effects, the rich phase diagram of a two-dimensional two-orbital (degenerate dxz and dyz) Hubbard model is presented varying temperature and the repulsion U. The main result is the finding at intermediate U of an antiferromagnetic orbital selective state where an effective dimensional reduction renders one direction insulating and the other metallic. Possible realizations of this state are discussed. Additionally, we also study nematicity above the N eel temperature. After a careful finite-size scaling analysis, the nematicity temperature window appears to survive in the bulk limit, althoughmore » it is very narrow.« less

  6. Spin waves in the fcc lattice antiferromagnet: competing interactions, frustration, and instabilities in the Hubbard model

    NASA Astrophysics Data System (ADS)

    Singh, Avinash; Mohapatra, Shubhajyoti; Ziman, Timothy; Chatterji, Tapan

    2017-02-01

    Spin waves in the type-III ordered antiferromagnetic state of the frustrated t- t ' Hubbard model on the face-centred-cubic (fcc) lattice are calculated to investigate finite-U-induced competing interaction and frustration effects on magnetic excitations and instabilities. Particularly strong competing interactions generated due to the interplay of fcc lattice geometry and magnetic order result in significant spin wave softening. The calculated spin wave dispersion is found to be in qualitative agreement with the measured spin wave dispersion in the pyrite mineral MnS2 obtained from inelastic neutron scattering experiments. Instabilities to other magnetic orders (type I, type II, spiral, non-collinear), as signalled by spin wave energies turning negative, are also discussed.

  7. Origami rules for the construction of localized eigenstates of the Hubbard model in decorated lattices

    NASA Astrophysics Data System (ADS)

    Dias, R. G.; Gouveia, J. D.

    2015-11-01

    We present a method of construction of exact localized many-body eigenstates of the Hubbard model in decorated lattices, both for U = 0 and U → ∞. These states are localized in what concerns both hole and particle movement. The starting point of the method is the construction of a plaquette or a set of plaquettes with a higher symmetry than that of the whole lattice. Using a simple set of rules, the tight-binding localized state in such a plaquette can be divided, folded and unfolded to new plaquette geometries. This set of rules is also valid for the construction of a localized state for one hole in the U → ∞ limit of the same plaquette, assuming a spin configuration which is a uniform linear combination of all possible permutations of the set of spins in the plaquette.

  8. Phase diagram of a disordered boson Hubbard model in two dimensions.

    PubMed

    Lee, J W; Cha, M C; Kim, D

    2001-12-10

    We study the zero-temperature phase transition of a two-dimensional disordered boson Hubbard model. The phase diagram is constructed in terms of the disorder strength and the chemical potential. Via Monte Carlo simulations, we find a multicritical line separating the weak-disorder regime, where the Mott-insulator-to-superfluid transition occurs, from the strong-disorder regime, where the Bose-glass-to-superfluid transition occurs. On the multicritical line, the insulator-to-superfluid transition has the dynamical critical exponent z = 1.35+/-0.05 and the correlation length critical exponent nu = 0.67+/-0.03. We suggest that the proliferation of the particle-hole pairs screens out the weak-disorder effects.

  9. Sweeping from the superfluid to the Mott phase in the Bose-Hubbard model.

    PubMed

    Schützhold, Ralf; Uhlmann, Michael; Xu, Yan; Fischer, Uwe R

    2006-11-17

    We study the sweep through the quantum phase transition from the superfluid to the Mott state for the Bose-Hubbard model with a time-dependent tunneling rate J(t). In the experimentally relevant case of exponential decay J(t) proportional variant e -gamma t, an adapted mean-field expansion for large fillings n yields a scaling solution for the fluctuations. This enables us to analytically calculate the evolution of the number and phase variations (on-site) and correlations (off-site) for slow (gammamu) sweeps, where mu is the chemical potential. Finally, we derive the dynamical decay of the off-diagonal long-range order as well as the temporal shrinkage of the superfluid fraction in a persistent ring-current setup.

  10. Bose-Hubbard models with synthetic spin-orbit coupling: Mott insulators, spin textures, and superfluidity.

    PubMed

    Cole, William S; Zhang, Shizhong; Paramekanti, Arun; Trivedi, Nandini

    2012-08-24

    Motivated by the experimental realization of synthetic spin-orbit coupling for ultracold atoms, we investigate the phase diagram of the Bose-Hubbard model in a non-Abelian gauge field in two dimensions. Using a strong coupling expansion in the combined presence of spin-orbit coupling and tunable interactions, we find a variety of interesting magnetic Hamiltonians in the Mott insulator (MI), which support magnetic textures such as spin spirals and vortex and Skyrmion crystals. An inhomogeneous mean-field treatment shows that the superfluid (SF) phases inherit these exotic magnetic orders from the MI and display, in addition, unusual modulated current patterns. We present a slave-boson theory which gives insight into such intertwined spin-charge orders in the SF, and discuss signatures of these orders in Bragg scattering, in situ microscopy, and dynamic quench experiments.

  11. Quarter-filled supersolid and solid phases in the extended Bose-Hubbard model.

    PubMed

    Ng, Kwai-Kong; Chen, Y C; Tzeng, Y C

    2010-05-12

    We numerically study the ground state phase diagram of the two-dimensional hard-core Bose-Hubbard model with nearest-(V(1)) and next-nearest-neighbour (V(2)) repulsions. In particular, we focus on the quarter-filled phases where one supersolid and two solid phases are observed. Using both canonical and grand canonical quantum Monte Carlo (QMC) methods and a mean-field calculation, we provide evidence for the existence of a commensurate supersolid. Despite the two possible diagonal long-range orderings for the solid phase, only one kind of supersolid phase is found to be energetically stable. The competition between the two solid phases manifests itself as a first-order phase transition around 2V(2) ∼ V(1). The change of order parameters as a function of the chemical potential is also presented.

  12. Equivalent spin-orbit interaction in the two-polariton Jaynes-Cummings-Hubbard model

    PubMed Central

    Li, C.; Zhang, X. Z.; Song, Z.

    2015-01-01

    A cavity quantum electrodynamics (cavity-QED) system combines two or more distinct quantum components, exhibiting features not seen in the individual systems. In this work, we study the one-dimensional Jaynes-Cummings-Hubbard model in the two-excitation (two-polariton) subspace. We find that the centre momentum of two-excitation induces a magnetic flux piercing the equivalent Hamiltonian Hk in the invariant subspace with momentum k, which can be described as a 4-leg ladder in the auxiliary space. Furthermore, it is shown that the system in π-centre-momentum subspace is equivalent to a lattice system for spin-1 particle with spin-orbit coupling. On the basis of this concise description, a series of bound-pair eigenstates which display long-range polaritonic entanglement is presented as a simple application. PMID:26159665

  13. Floquet-Bloch operator for the Bose-Hubbard model with static field.

    PubMed

    Kolovsky, Andrey R; Buchleitner, Andreas

    2003-11-01

    This paper deals with the spectral properties of the one-dimensional Bose-Hubbard Hamiltonian amended by an external static field-a model for cold spinless atoms loaded in a quasi-one-dimensional optical lattice and subject to an additional static (for example, gravitational) force. The analysis is performed in terms of the Floquet-Bloch operator, defined as the evolution operator of the system over one Bloch period. Depending on the particular choice of parameters, the spectrum is found to be either regular or chaotic. Moreover, in the chaotic case, the matrix of the Floquet-Bloch operator is well characterized as a random matrix of the circular orthogonal ensemble.

  14. Twisted superfluid phase in the extended one-dimensional Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Lühmann, Dirk-Sören

    2016-07-01

    In one-dimensional systems a twisted superfluid phase is found which is induced by a spontaneous breaking of the time-reversal symmetry. Using the density-matrix renormalization group allows us to show that the excitation energy gap closes exponentially causing a quasidegenerate ground state. The two degenerate ground states are connected by the time-reversal symmetry which manifests itself in an alternating complex phase of the long-range correlation function. The quantum phase transition to the twisted superfluid is driven by pair tunneling processes in an extended Bose-Hubbard model. The phase boundaries of several other phases are discussed including a supersolid, a pair superfluid, and a pair supersolid phase as well as a highly unconventional Mott insulator with a degenerate ground state and a staggered pair correlation function.

  15. Phase transitions in a Bose-Hubbard model with cavity-mediated global-range interactions

    NASA Astrophysics Data System (ADS)

    Dogra, N.; Brennecke, F.; Huber, S. D.; Donner, T.

    2016-08-01

    We study a system with competing short- and global-range interactions in the framework of the Bose-Hubbard model. Using a mean-field approximation we obtain the phase diagram of the system and observe four different phases: a superfluid, a supersolid, a Mott insulator, and a charge-density wave, where the transitions between the various phases can be either of first or second order. We qualitatively support these results using Monte Carlo simulations. An analysis of the low-energy excitations shows that the second-order phase transition from the charge-density wave to the supersolid is associated with the softening of particle- and holelike excitations which give rise to a gapless mode and an amplitude Higgs mode in the supersolid phase. This amplitude Higgs mode is further transformed into a roton mode which softens at the supersolid to superfluid phase transition.

  16. Competing phases, phase separation, and coexistence in the extended one-dimensional bosonic Hubbard model

    SciTech Connect

    Batrouni, G. G.; Rousseau, V. G.; Scalettar, R. T.; Grémaud, B.

    2014-11-17

    Here, we study the phase diagram of the one-dimensional bosonic Hubbard model with contact (U) and near neighbor (V ) interactions focusing on the gapped Haldane insulating (HI) phase which is characterized by an exotic nonlocal order parameter. The parameter regime (U, V and μ) where this phase exists and how it competes with other phases such as the supersolid (SS) phase, is incompletely understood. We use the Stochastic Green Function quantum Monte Carlo algorithm as well as the density matrix renormalization group to map out the phase diagram. The HI exists only at = 1, the SS phase exists for a very wide range of parameters (including commensurate fillings) and displays power law decay in the one body Green function were our main conclusions. Additionally, we show that at fixed integer density, the system exhibits phase separation in the (U, V ) plane.

  17. Low quasiparticle coherence temperature in the one-band Hubbard model: A slave-boson approach

    NASA Astrophysics Data System (ADS)

    Mezio, Alejandro; McKenzie, Ross H.

    2017-07-01

    We use the Kotliar-Ruckenstein slave-boson formalism to study the temperature dependence of paramagnetic phases of the one-band Hubbard model for a variety of band structures. We calculate the Fermi liquid quasiparticle spectral weight Z and identify the temperature at which it decreases significantly to a crossover to a bad metal region. Near the Mott metal-insulator transition, this coherence temperature Tcoh is much lower than the Fermi temperature of the uncorrelated Fermi gas, as is observed in a broad range of strongly correlated electron materials. After a proper rescaling of temperature and interaction, we find a universal behavior that is independent of the band structure of the system. We obtain the temperature-interaction phase diagram as function of doping, and we compare the temperature dependence of the double occupancy, entropy, and charge compressibility with previous results obtained with dynamical mean-field theory. We analyze the stability of the method by calculating the charge compressibility.

  18. Long-lived nonequilibrium states in the Hubbard model with an electric field

    NASA Astrophysics Data System (ADS)

    Joura, Alexander V.; Freericks, J. K.; Lichtenstein, Alexander I.

    2015-06-01

    We study the single-band Hubbard model in the presence of a large spatially uniform electric field out of equilibrium. Using the Keldysh nonequilibrium formalism, we solve the problem using perturbation theory in the Coulomb interaction U . We present numerical results for the charge current, the total energy of the system, and the double occupancy on an infinite-dimensional hypercubic lattice with nearest-neighbor hopping. The system is isolated from an external bath and is in the paramagnetic state. We show that an electric field pulse can drive the system to a steady nonequilibrium state, which does not evolve into a thermal state. We compare results obtained within second-order perturbation theory (SOPT), self-consistent SOPT, and iterated perturbation theory (IPT). We also discuss the importance of initial conditions for a system which is not coupled to an external bath.

  19. Exact exchange-correlation potential of an ionic Hubbard model with a free surface

    PubMed Central

    Brosco, V.; Ying, Z.-J.; Lorenzana, J.

    2013-01-01

    In Kohn-Sham density functional theory (DFT) the interacting electron problem is mapped into a noninteracting problem in an effective potential vKS. It is known that the charge gap of the interacting system is different from the gap of the effective problem due to a jump Δxc in vKS when an electron is added but its magnitude and its role in the ubiquitous discrepancy between the experimental gaps and approximate DFT computations is poorly understood. Here we compute the exact vKS of a strongly interacting one-dimensional lattice model which can be driven from an ionic to a Mott insulating state. Presence of a “vacuum” region allows to determine the absolute value of vKS. We show that in the ionic regime Δxc is determined by nearest-neighbor interaction, while in the Mott regime Δxc is determined by on-site Hubbard interaction. PMID:23838813

  20. Origami rules for the construction of localized eigenstates of the Hubbard model in decorated lattices

    PubMed Central

    Dias, R. G.; Gouveia, J. D.

    2015-01-01

    We present a method of construction of exact localized many-body eigenstates of the Hubbard model in decorated lattices, both for U = 0 and U → ∞. These states are localized in what concerns both hole and particle movement. The starting point of the method is the construction of a plaquette or a set of plaquettes with a higher symmetry than that of the whole lattice. Using a simple set of rules, the tight-binding localized state in such a plaquette can be divided, folded and unfolded to new plaquette geometries. This set of rules is also valid for the construction of a localized state for one hole in the U → ∞ limit of the same plaquette, assuming a spin configuration which is a uniform linear combination of all possible permutations of the set of spins in the plaquette. PMID:26581296

  1. Superconducting phase and pairing fluctuations in the half-filled two-dimensional Hubbard model.

    PubMed

    Sentef, Michael; Werner, Philipp; Gull, Emanuel; Kampf, Arno P

    2011-09-16

    The two-dimensional Hubbard model exhibits superconductivity with d-wave symmetry even at half-filling in the presence of a next-nearest neighbor hopping. Using plaquette cluster dynamical mean-field theory with a continuous-time quantum Monte Carlo impurity solver, we reveal the non-Fermi liquid character of the metallic phase in proximity to the superconducting state. Specifically, the low-frequency scattering rate for momenta near (π, 0) varies nonmonotonically at low temperatures, and the dc conductivity is T linear at elevated temperatures with an upturn upon cooling. Evidence is provided that pairing fluctuations dominate the normal-conducting state even considerably above the superconducting transition temperature.

  2. Bad-Metal Behavior Reveals Mott Quantum Criticality in Doped Hubbard Models

    NASA Astrophysics Data System (ADS)

    Vučičević, J.; Tanasković, D.; Rozenberg, M. J.; Dobrosavljević, V.

    2015-06-01

    Bad-metal (BM) behavior featuring linear temperature dependence of the resistivity extending to well above the Mott-Ioffe-Regel (MIR) limit is often viewed as one of the key unresolved signatures of strong correlation. Here we associate the BM behavior with the Mott quantum criticality by examining a fully frustrated Hubbard model where all long-range magnetic orders are suppressed, and the Mott problem can be rigorously solved through dynamical mean-field theory. We show that for the doped Mott insulator regime, the coexistence dome and the associated first-order Mott metal-insulator transition are confined to extremely low temperatures, while clear signatures of Mott quantum criticality emerge across much of the phase diagram. Remarkable scaling behavior is identified for the entire family of resistivity curves, with a quantum critical region covering the entire BM regime, providing not only insight, but also quantitative understanding around the MIR limit, in agreement with the available experiments.

  3. Off-site interaction effect in the Extended Hubbard Model with the SCRPA method

    NASA Astrophysics Data System (ADS)

    Harir, S.; Bennai, M.; Boughaleb, Y.

    2007-10-01

    The self consistent random phase approximation (SCRPA) and a direct analytical (DA) method are proposed to solve the Extended Hubbard Model (EHM) in one dimension (1D). We have considered an EHM including on-site and off-site interactions for closed chains in 1D with periodic boundary conditions. The comparison of the SCRPA results with the ones obtained by a DA approach shows that the SCRPA treats the problem of these closed chains in a rigorous manner. The analysis of the nearest-neighbour repulsion effect on the dynamics of our closed chains shows that this repulsive interaction between the electrons of the neighbouring atoms induces supplementary conductivity, since, the SCRPA energygap vanishes when these closed chains are governed by a strong repulsive on-site interaction and intermediate nearest-neighbour repulsion.

  4. Controlling Feynman diagrammatic expansions: Physical nature of the pseudogap in the two-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Wu, Wei; Ferrero, Michel; Georges, Antoine; Kozik, Evgeny

    2017-07-01

    We introduce a method for summing Feynman's perturbation series based on diagrammatic Monte Carlo that significantly improves its convergence properties. This allows us to investigate in a controllable manner the pseudogap regime of the Hubbard model and to study the nodal/antinodal dichotomy at low doping and intermediate coupling. Marked differences from the weak-coupling scenario are manifest, such as a higher degree of incoherence at the antinodes than at the "hot spots". Our results show that the pseudogap and reduction of quasiparticle coherence at the antinode is due to antiferromagnetic spin correlations centered around the commensurate (π ,π ) wave vector. In contrast, the dominant source of scattering at the node is associated with incommensurate momentum transfer. Umklapp scattering is found to play a key role in the nodal/antinodal dichotomy.

  5. Interplay between staggered flux and d-wave superconducting states in Hubbard model

    NASA Astrophysics Data System (ADS)

    Kobayashi, Kenji; Yokoyama, Hisatoshi

    2017-07-01

    With cuprate superconductors in mind, we check whether the d-wave superconducting (dSC) state coexists with or excludes the staggered flux (SF) state, which was revealed to be the strong candidate for the pseudogap state. To this end, we use a variational Monte Carlo method for the square Hubbard model with diagonal transfer t‧. In the trial wave function, dSC and SF orders coexist, which allows a continuous description of their interplay; essential factors for Mott physics and band renormalization are also included. It is found that the SF state does not coexist with dSC and is unstable for U/t = 12 regardless of the value of t‧/t within the present work.

  6. Extended dynamical mean-field study of the Hubbard model with long-range interactions

    NASA Astrophysics Data System (ADS)

    Huang, Li; Ayral, Thomas; Biermann, Silke; Werner, Philipp

    2014-11-01

    Using extended dynamical mean-field theory and its combination with the G W approximation, we compute the phase diagrams and local spectral functions of the single-band extended Hubbard model on the square and simple cubic lattices, considering long-range interactions up to the third nearest neighbors. The longer-range interactions shift the boundaries between the metallic, charge-ordered insulating, and Mott insulating phases, and lead to characteristic changes in the screening modes and local spectral functions. Momentum-dependent self-energy contributions enhance the correlation effects and thus compete with the additional screening effect from longer-range Coulomb interactions. Our results suggest that the influence of longer-range intersite interactions is significant, and that these effects deserve attention in realistic studies of correlated materials.

  7. Thermodynamic properties and thermal correlation lengths of a Hubbard model with bond-charge interaction

    NASA Astrophysics Data System (ADS)

    Kemper, Andreas; Schadschneider, Andreas

    2003-12-01

    We investigate the thermodynamics of a one-dimensional Hubbard model with bond-charge interaction X using the transfer-matrix renormalization-group method. Numerical results for various quantities such as spin and charge susceptibilities, particle densities, specific heat, and thermal correlation lengths are presented and discussed. We compare our data also to results for the exactly solvable case X/t=1 as well as to bosonization results for weak coupling X/t≪1, which shows excellent agreement. We confirm the existence of a Tomonaga-Luttinger and a Luther-Emery liquid phase, in agreement with previous studies at zero temperature. Thermal singlet-pair-correlation lengths are shown to dominate density and spin correlations for finite temperatures in certain parameter regimes.

  8. Excitation spectra and spin gap of the half-filled Holstein-Hubbard model

    NASA Astrophysics Data System (ADS)

    Hohenadler, Martin; Assaad, Fakher F.

    2013-02-01

    Single- and two-particle excitation spectra of the one-dimensional, half-filled Holstein-Hubbard model are calculated using the continuous-time quantum Monte Carlo method. In the metallic phase, the results are consistent with a Luther-Emery liquid that has gapped spin and single-particle excitations but a gapless charge mode. However, given the initially exponential dependence of the spin gap on the backscattering matrix element, the numerical excitation spectra appear gapless in the weak-coupling regime, and therefore resemble those of a Luttinger liquid. The Mott phase has the expected charge gap and gapless spin excitations. The Peierls state shows a charge, spin, and single-particle gap, a soft phonon mode, backfolded shadow bands, and soliton excitations. Arguments and numerical evidence for the existence of a nonzero spin gap throughout the metallic phase are provided in terms of equal-time spin and charge correlation functions.

  9. Topological phase transitions and universality in the Haldane-Hubbard model

    NASA Astrophysics Data System (ADS)

    Giuliani, Alessandro; Jauslin, Ian; Mastropietro, Vieri; Porta, Marcello

    2016-11-01

    We study the Haldane-Hubbard model by exact renormalization group techniques. We analytically construct the topological phase diagram, for weak interactions. We predict that many-body interactions induce a shift of the transition line: in particular, repulsive interactions enlarge the topologically nontrivial region. The presence of new intermediate phases, absent in the noninteracting case, is rigorously excluded at weak coupling. Despite the nontrivial renormalization of the wave function and of the Fermi velocity, the conductivity is universal: at the renormalized critical line, both the discontinuity of the transverse conductivity and the longitudinal conductivity are independent of the interaction, thanks to remarkable cancellations due to lattice Ward identities. In contrast to the quantization of the transverse conductivity, the universality of the longitudinal conductivity cannot be explained via topological arguments.

  10. Magnetic correlations in the two-dimensional repulsive Fermi-Hubbard model

    NASA Astrophysics Data System (ADS)

    Šimkovic, Fedor; Deng, Youjin; Prokof'ev, N. V.; Svistunov, B. V.; Tupitsyn, I. S.; Kozik, Evgeny

    2017-08-01

    The repulsive Fermi-Hubbard model on a square lattice has a rich phase diagram near half-filling (n =1 ): at n =1 the ground state is an antiferromagnetic insulator, at 0.6

  11. Quantum Monte Carlo simulations of the one-dimensional extended Hubbard model

    SciTech Connect

    Somsky, W.R.; Gubernatis, J.E.

    1989-01-01

    We report preliminary results of an investigation of the thermodynamic properties of the extended Hubbard model in one- dimension, calculated with the world-line Monte Carlo method described by Hirsch et al. With strictly continuous world-lines, we are able to measure the expectation of operators that conserve fermion number locally, such as the energy and (spatial) occupation number. By permitting the world-lines to be broken'' stochastically, we may also measure the expectation of operators that conserve fermion number only globally, such as the single-particle Green's function. For a 32 site lattice we present preliminary calculations of the average electron occupancy as a function of wavenumber when U = 4, V = 0 and {beta} = 16. For a half-filled band we find no indications of a Fermi surface. Slightly away from half-filling, we find Fermi-surface-like behavior similar to that found in other numerical investigations. 8 refs., 3 figs.

  12. Mass loss in 2D rotating stellar models

    SciTech Connect

    Lovekin, Caterine; Deupree, Bob

    2010-10-05

    Radiatively driven mass loss is an important factor in the evolution of massive stars . The mass loss rates depend on a number of stellar parameters, including the effective temperature and luminosity. Massive stars are also often rapidly rotating, which affects their structure and evolution. In sufficiently rapidly rotating stars, both the effective temperature and radius vary significantly as a function of latitude, and hence mass loss rates can vary appreciably between the poles and the equator. In this work, we discuss the addition of mass loss to a 2D stellar evolution code (ROTORC) and compare evolution sequences with and without mass loss. Preliminary results indicate that a full 2D calculation of mass loss using the local effective temperature and luminosity can significantly affect the distribution of mass loss in rotating main sequence stars. More mass is lost from the pole than predicted by 1D models, while less mass is lost at the equator. This change in the distribution of mass loss will affect the angular momentum loss, the surface temperature and luminosity, and even the interior structure of the star. After a single mass loss event, these effects are small, but can be expected to accumulate over the course of the main sequence evolution.

  13. Predicting abnormal pressure from 2-D seismic velocity modeling

    SciTech Connect

    Grauls, D.; Dunand, J.P.; Beaufort, D.

    1995-12-01

    Seismic velocities are the only data available, before drilling, on which to base a quantitative, present-day estimate of abnormal pressure. Recent advances in seismic velocity processing have enabled them to obtain, using an in-house approach, an optimized 2-D interval velocity field and consequently to better define the lateral extension of pressure regimes. The methodology, interpretation and quantification of overpressure-related anomalies are supported by case studies, selected in sand-shale dominated Tertiary basins, offshore West Africa. Another advantage of this approach is that it can also account for the presence of reservoir-potential intervals at great depth and thus provide significant insight, from a prospective standpoint, into very poorly explored areas. Although at the outset the 2-D seismic tool legitimately merits being favored, optimization of the final predictive pressure model, prior to drilling, will depend upon the success of its combined use with other concepts and approaches, pertaining to structural geology, sedimentology, rock mechanics and fluid dynamics.

  14. 2D Quantum Transport Modeling in Nanoscale MOSFETs

    NASA Technical Reports Server (NTRS)

    Svizhenko, Alexei; Anantram, M. P.; Govindan, T. R.; Biegel, Bryan

    2001-01-01

    With the onset of quantum confinement in the inversion layer in nanoscale MOSFETs, behavior of the resonant level inevitably determines all device characteristics. While most classical device simulators take quantization into account in some simplified manner, the important details of electrostatics are missing. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL, and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density- gradient and quantum-corrected MEDICI). We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions, oxide tunneling and phase-breaking scattering are treated on equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. Quantum simulations are focused on MIT 25, 50 and 90 nm "well- tempered" MOSFETs and compared to classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. These results are quantitatively consistent with I D Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and sub-threshold current has been studied. The shorter gate length device has an order of magnitude smaller current at zero gate bias than the longer gate length device without a significant trade-off in on-current. This should be a device design consideration.

  15. 2D Quantum Transport Modeling in Nanoscale MOSFETs

    NASA Technical Reports Server (NTRS)

    Svizhenko, Alexei; Anantram, M. P.; Govindan, T. R.; Biegel, Bryan

    2001-01-01

    With the onset of quantum confinement in the inversion layer in nanoscale MOSFETs, behavior of the resonant level inevitably determines all device characteristics. While most classical device simulators take quantization into account in some simplified manner, the important details of electrostatics are missing. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL, and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density- gradient and quantum-corrected MEDICI). We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions, oxide tunneling and phase-breaking scattering are treated on equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. Quantum simulations are focused on MIT 25, 50 and 90 nm "well- tempered" MOSFETs and compared to classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. These results are quantitatively consistent with I D Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and sub-threshold current has been studied. The shorter gate length device has an order of magnitude smaller current at zero gate bias than the longer gate length device without a significant trade-off in on-current. This should be a device design consideration.

  16. Rare events in a finite 2D Ising model

    NASA Astrophysics Data System (ADS)

    Xuan, Ning

    The dynamics of physical systems are always subject to thermal fluctuations or noise. These perturbations will make the stable states of the deterministic part of the dynamical system become only metastable states. When the amplitude of the perturbation is small, the transitions from one metastable state to another are rare events. One such example is the magnetization switching between the two metastable states of 2D Ising model at T < Tc. The 2D Ising model displays two metastable states below the critical temperature Tc. These metastable states are characterized by spontaneous magnetization per spin that tend to m = +/-1 as temperature T → 0. A finite-size Ising system performs transitions from one metastable phase to another due to thermal fluctuations. Such phase transitions often involve growth or birth of a thermally activated critical nucleus, which is statistically a rare event when the noise is small. It may occur via homogeneous nucleation or heterogeneous nucleation, depending on whether the nucleus is formed in system with periodic boundary condition or with boundary condition of Dirichlet or Neumann type. In this thesis, we study the influences of an applied bulk field and local boundary fields to the critical points (minimums and saddle) of noised-driven phase transitions arising in a finite 2D Ising system in both frameworks of the Ginzburg-Landau theory and lattice spins. We use the string method to numerically allocate the minimum energy path (MEP) and the profile of the energy barrier along it. In the framework of Ginzburg-Landau, we introduce an interface energy functional as a sharp interface limit of the Ginzburg-Landau energy, and compare the numerical results from the string method to the analytical results from this interface energy. In the framework of lattice spin model, we first applied the Transition Path Theory to the system to get the transition rate functional that is suitable for both theoretical and numerical purpose. Then the

  17. Filling-dependent doublon dynamics in the one-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Rausch, Roman; Potthoff, Michael

    2017-01-01

    The fate of a local two-hole doublon excitation in the one-dimensional Fermi-Hubbard model is systematically studied for strong Hubbard interaction U in the entire filling range using the density-matrix renormalization group (DMRG) and the Bethe ansatz. For strong U , two holes at the same site form a compound object whose decay is impeded by the lack of phase space. Still, a partial decay is possible on an extremely short time scale where phase-space arguments do not yet apply. We argue that the initial decay and the resulting intermediate state are relevant for experiments performed with ultracold atoms loaded into an optical lattice as well as for (time-resolved) CVV Auger-electron spectroscopy. The detailed discussion comprises the mixed ballistic-diffusive real-time propagation of the doublon through the lattice, its partial decay on the short time scale as a function of filling and interaction strength, as well as the analysis of the decay products, which are metastable on the intermediate time scale that is numerically accessible and which show up in the two-hole excitation (Auger) spectrum. The ambivalent role of singly occupied sites is key to understanding the doublon physics; for high fillings, ground-state configurations with single occupancies are recognized to strongly relax the kinematic constraints and to open up decay channels. For fillings close to half-filling, however, their presence actually blocks the doublon decay. Finally, the analysis of the continua in the two-hole spectrum excludes a picture where the doublon decays into unbound electron holes for generic fillings, different from the limiting case of the completely filled band. We demonstrate that the decay products as well as the doublon propagation should rather be understood in terms of Bethe ansatz eigenstates.

  18. Generalization Technique for 2D+SCALE Dhe Data Model

    NASA Astrophysics Data System (ADS)

    Karim, Hairi; Rahman, Alias Abdul; Boguslawski, Pawel

    2016-10-01

    Different users or applications need different scale model especially in computer application such as game visualization and GIS modelling. Some issues has been raised on fulfilling GIS requirement of retaining the details while minimizing the redundancy of the scale datasets. Previous researchers suggested and attempted to add another dimension such as scale or/and time into a 3D model, but the implementation of scale dimension faces some problems due to the limitations and availability of data structures and data models. Nowadays, various data structures and data models have been proposed to support variety of applications and dimensionality but lack research works has been conducted in terms of supporting scale dimension. Generally, the Dual Half Edge (DHE) data structure was designed to work with any perfect 3D spatial object such as buildings. In this paper, we attempt to expand the capability of the DHE data structure toward integration with scale dimension. The description of the concept and implementation of generating 3D-scale (2D spatial + scale dimension) for the DHE data structure forms the major discussion of this paper. We strongly believed some advantages such as local modification and topological element (navigation, query and semantic information) in scale dimension could be used for the future 3D-scale applications.

  19. Towards AN Understanding of the Large-U Hubbard Model and a Theory for High-Temperature Superconductors.

    NASA Astrophysics Data System (ADS)

    Hsu, Theodore Cheng-Tao

    This thesis describes work on a large-U Hubbard model theory for high temperature superconductors. After an introduction to recent developments in the field, we review experimental results. At the same time we introduce the holon-spinon model and comment on its successes and shortcomings. Using this heuristic model we then describe a holon pairing theory of superconductivity and list some experimental evidence for this 'interlayer coupling' theory. The latter part of the thesis is devoted to projected fermion mean field theories. They are introduced by applying this theory and some recently developed computational techniques to anisotropic antiferromagnets. This scheme is shown to give quantitatively good results for the two dimensional square lattice Heisenberg AFM. Our results have definite implications for a spinon theory of quantum antiferromagnets. Finally we study flux phases and other variational prescriptions for obtaining low lying states of the Hubbard model.

  20. Effects of Agent's Repulsion in 2d Flocking Models

    NASA Astrophysics Data System (ADS)

    Moussa, Najem; Tarras, Iliass; Mazroui, M'hammed; Boughaleb, Yahya

    In nature many animal groups, such as fish schools or bird flocks, clearly display structural order and appear to move as a single coherent entity. In order to understand the complex behavior of these systems, many models have been proposed and tested so far. This paper deals with an extension of the Vicsek model, by including a second zone of repulsion, where each agent attempts to maintain a minimum distance from the others. The consideration of this zone in our study seems to play an important role during the travel of agents in the two-dimensional (2D) flocking models. Our numerical investigations show that depending on the basic ingredients such as repulsion radius (R1), effect of density of agents (ρ) and noise (η), our nonequilibrium system can undergo a kinetic phase transition from no transport to finite net transport. For different values of ρ, kinetic phase diagrams in the plane (η ,R1) are found. Implications of these findings are discussed.

  1. 2-D Model for Normal and Sickle Cell Blood Microcirculation

    NASA Astrophysics Data System (ADS)

    Tekleab, Yonatan; Harris, Wesley

    2011-11-01

    Sickle cell disease (SCD) is a genetic disorder that alters the red blood cell (RBC) structure and function such that hemoglobin (Hb) cannot effectively bind and release oxygen. Previous computational models have been designed to study the microcirculation for insight into blood disorders such as SCD. Our novel 2-D computational model represents a fast, time efficient method developed to analyze flow dynamics, O2 diffusion, and cell deformation in the microcirculation. The model uses a finite difference, Crank-Nicholson scheme to compute the flow and O2 concentration, and the level set computational method to advect the RBC membrane on a staggered grid. Several sets of initial and boundary conditions were tested. Simulation data indicate a few parameters to be significant in the perturbation of the blood flow and O2 concentration profiles. Specifically, the Hill coefficient, arterial O2 partial pressure, O2 partial pressure at 50% Hb saturation, and cell membrane stiffness are significant factors. Results were found to be consistent with those of Le Floch [2010] and Secomb [2006].

  2. Haldane insulator protected by reflection symmetry in the doped Hubbard model on the three-legged ladder

    NASA Astrophysics Data System (ADS)

    Nourse, H. L.; McCulloch, I. P.; Janani, C.; Powell, B. J.

    2016-12-01

    We demonstrate the existence of an insulating phase in the three-legged Hubbard ladder at two-thirds filling. In this phase chargons are bound because the physics within a unit cell favors the formation of triplets. The resultant moments lead to a ground state in the Haldane phase, a symmetry protected topological state of matter. In this purely fermionic model, reflection is protecting but time-reversal and dihedral symmetries are not, in contrast to spin models.

  3. Determinant quantum Monte Carlo study of the two-dimensional single-band Hubbard-Holstein model

    SciTech Connect

    Johnston, S.; Nowadnick, E. A.; Kung, Y. F.; Moritz, B.; Scalettar, R. T.; Devereaux, T. P.

    2013-06-24

    Here, we performed numerical studies of the Hubbard-Holstein model in two dimensions using determinant quantum Monte Carlo (DQMC). We also present details of the method, emphasizing the treatment of the lattice degrees of freedom, and then study the filling and behavior of the fermion sign as a function of model parameters. We find a region of parameter space with large Holstein coupling where the fermion sign recovers despite large values of the Hubbard interaction. This indicates that studies of correlated polarons at finite carrier concentrations are likely accessible to DQMC simulations. We then restrict ourselves to the half-filled model and examine the evolution of the antiferromagnetic structure factor, other metrics for antiferromagnetic and charge-density-wave order, and energetics of the electronic and lattice degrees of freedom as a function of electron-phonon coupling. From this we find further evidence for a competition between charge-density-wave and antiferromagnetic order at half- filling.

  4. Evaporation out of a 2D model soil

    NASA Astrophysics Data System (ADS)

    Selva, Bertrand; Dreyfus, Remi

    2011-03-01

    Our goal is to improve our understanding of water transport in the soil-plant-atmosphere continuum. For this purpose, we focus on water losses due to evaporation at the soil surface. Such losses are known to be important at places where plants do not entirely cover the surface. Our model soil is a 2D porous medium with controlled wettability and humidity. It has been reported that evaporation is characterized by three stages: a first stage with a strong and constant evaporation flux, a second stage where mass transfer is dominated by diffusion mechanisms, and a third stage that occurs when the medium is almost empty. Here we focus on the first two stages and the transition between them which occurs when an intermediate unsaturated zone has reached its maximum width. This width strongly depends on the wettability distribution of the porous medium. In our experiments, we have explored a regime where gravity effects and capillary forces have similar contributions. In this particular regime we found that the first stage is characterized by a continuously decreasing evaporation flux and the second stage by usual diffusion transfer mechanisms. In order to understand this behavior, we have developed a model which allows us to predict the transition between the two stages and which is in agreement with the decreasing values of the first stage evaporation flux.

  5. Ab initio modeling of 2D layered organohalide lead perovskites

    NASA Astrophysics Data System (ADS)

    Fraccarollo, Alberto; Cantatore, Valentina; Boschetto, Gabriele; Marchese, Leonardo; Cossi, Maurizio

    2016-04-01

    A number of 2D layered perovskites A2PbI4 and BPbI4, with A and B mono- and divalent ammonium and imidazolium cations, have been modeled with different theoretical methods. The periodic structures have been optimized (both in monoclinic and in triclinic systems, corresponding to eclipsed and staggered arrangements of the inorganic layers) at the DFT level, with hybrid functionals, Gaussian-type orbitals and dispersion energy corrections. With the same methods, the various contributions to the solid stabilization energy have been discussed, separating electrostatic and dispersion energies, organic-organic intralayer interactions and H-bonding effects, when applicable. Then the electronic band gaps have been computed with plane waves, at the DFT level with scalar and full relativistic potentials, and including the correlation energy through the GW approximation. Spin orbit coupling and GW effects have been combined in an additive scheme, validated by comparing the computed gap with well known experimental and theoretical results for a model system. Finally, various contributions to the computed band gaps have been discussed on some of the studied systems, by varying some geometrical parameters and by substituting one cation in another's place.

  6. Mathematical model for silicon electrode - Part I. 2-d model

    NASA Astrophysics Data System (ADS)

    Sikha, Godfrey; De, Sumitava; Gordon, Joseph

    2014-09-01

    This paper presents a 2-dimensional transient numerical model to simulate the electrochemical lithium insertion in a silicon nanowire (Si NW) electrode. The model geometry is a cylindrical Si NW electrode anchored to a copper current collector (Cu CC) substrate. The model solves for diffusion of lithium in Si NW, stress generation in the Si NW due to chemical and elastic strains, stress generation in the Cu CC due to elastic strain, and volume expansion in the Si NW and Cu CC geometries. The evolution of stress components, i.e., radial, axial and tangential stresses in different regions in the Si NW are presented and discussed. The effect of radius of Si NW and lithiation rate, on the maximum stresses developed in the Si NW are also discussed.

  7. Absence of superconductivity and valence bond order in the Hubbard-Heisenberg model for organic charge-transfer solids.

    PubMed

    Gomes, N; Clay, R T; Mazumdar, S

    2013-09-25

    A frustrated, effective ½-filled band Hubbard-Heisenberg model has been proposed for describing the strongly dimerized charge-transfer solid families κ-(ET)2X and Z[Pd(dmit)2]2. In addition to showing unconventional superconductivity, these materials also exhibit antiferromagnetism, candidate spin-liquid phases, and, in the case of Z=EtMe3P, a spin-gapped phase that has sometimes been referred to as a valence bond solid. We show that neither superconductivity nor the valence bond order phase occurs within the Hubbard-Heisenberg model. We suggest that a description based on ¼-filling, that is reached when the carrier concentration per molecule instead of per dimer is considered, thus may be appropriate.

  8. Trap effects and the continuum limit of the Hubbard model in the presence of a harmonic potential

    NASA Astrophysics Data System (ADS)

    Nigro, Davide

    2017-09-01

    We discuss how to perform the continuum limit of the d -dimensional Hubbard model in the presence of a harmonic confining potential at zero temperature and fixed particle number. While for d ≥3 the system can be mapped into a noninteracting two-component Fermi gas in a harmonic trap, for d =1 and 2 the two-body interaction is described by a Dirac δ . We show that the properties of this continuum limit can be put in one-to-one correspondence with those obtained by applying the trap-size scaling formalism to the confined Hubbard model in the so called dilute regime (fixed number of particles and weak confinement). The correspondence for d <3 has been tested, in the case of two particles with opposite spin, by comparing numerical exact-diagonalization results of the lattice system with those obtained in the continuum limit.

  9. Competing instabilities in a two band Hubbard model on a square lattice

    NASA Astrophysics Data System (ADS)

    Shi, Chuntai; Tsai, Shan-Wen

    2012-02-01

    We study a two band Hubbard model on a two dimensional square lattice. In particular, we focus on the cases wherein one band is doped to have a small electron pocket while the other band is doped to have a hole pocket and the Fermi lines of these two pockets are nearly nested. Similar models have been studied extensively in the context related to the Iron-based material where the interactions between electrons are always repulsive. Here we investigate the generalized cases that the interactions between the fermions within the same band U1 and U2 and the interactions between electrons in different bands U12 can be tuned independently. Such models can potentially be realized in a cold atom system where the manipulation of the interaction is possible by taking advantage of the Feshbach resonance. The freedom of tuning the strength and the sign (repulsive or attractive) of the interactions, combined with the nearly nested Fermi lines, allows both the density wave phases and the pairing phases to be potential candidates for the ground state. We employ the functional renormalization group approach so that we can investigate the competition between these possible instabilities on an equal footing.

  10. TRILEX and G W +EDMFT approach to d -wave superconductivity in the Hubbard model

    NASA Astrophysics Data System (ADS)

    Vučičević, J.; Ayral, T.; Parcollet, O.

    2017-09-01

    We generalize the recently introduced TRILEX approach (TRiply irreducible local EXpansion) to superconducting phases. The method treats simultaneously Mott and spin-fluctuation physics using an Eliashberg theory supplemented by local vertex corrections determined by a self-consistent quantum impurity model. We show that, in the two-dimensional Hubbard model, at strong coupling, TRILEX yields a d -wave superconducting dome as a function of doping. Contrary to the standard cluster dynamical mean field theory (DMFT) approaches, TRILEX can capture d -wave pairing using only a single-site effective impurity model. We also systematically explore the dependence of the superconducting temperature on the bare dispersion at weak coupling, which shows a clear link between strong antiferromagnetic (AF) correlations and the onset of superconductivity. We identify a combination of hopping amplitudes particularly favorable to superconductivity at intermediate doping. Finally, we study within G W +EDMFT the low-temperature d -wave superconducting phase at strong coupling in a region of parameter space with reduced AF fluctuations.

  11. Fermionic Hubbard model with Rashba or Dresselhaus spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Sun, Fadi; Ye, Jinwu; Liu, Wu-Ming

    2017-06-01

    In this work, we investigate the possible dramatic effects of Rashba or Dresselhaus spin-orbit coupling (SOC) on the fermionic Hubbard model in a two-dimensional square lattice. In the strong coupling limit, it leads to the rotated antiferromagnetic Heisenberg model which is a new class of quantum spin model. For a special equivalent class, we identify a new spin-orbital entangled commensurate ground (Y-y) state subject to strong quantum fluctuations at T = 0. We evaluate the quantum fluctuations by the spin wave expansion up to order 1/{S}2. In some SOC parameter regimes, the Y-y state supports a massive relativistic incommensurate magnon (C-IC) with its two gap minima positions continuously tuned by the SOC parameters. The C-IC magnons dominate all the low temperature thermodynamic quantities and also lead to the separation of the peak positions between the longitudinal and the transverse spin structure factors. In the weak coupling limit, any weak repulsive interaction also leads to a weak Y-y state. There is only a crossover from the weak to the strong coupling. High temperature expansions of the specific heats in both weak and strong coupling are presented. The dramatic roles to be played by these C-IC magnons at generic SOC parameters or under various external probes are hinted at. Experimental applications to both layered noncentrosymmetric materials and cold atoms are discussed.

  12. Ab initio derivation of multi-orbital extended Hubbard model for molecular crystals

    NASA Astrophysics Data System (ADS)

    Tsuchiizu, Masahisa; Omori, Yukiko; Suzumura, Yoshikazu; Bonnet, Marie-Laure; Robert, Vincent

    2012-01-01

    From configuration interaction (CI) ab initio calculations, we derive an effective two-orbital extended Hubbard model based on the gerade (g) and ungerade (u) molecular orbitals (MOs) of the charge-transfer molecular conductor (TTM-TTP)I3 and the single-component molecular conductor [Au(tmdt)2]. First, by focusing on the isolated molecule, we determine the parameters for the model Hamiltonian so as to reproduce the CI Hamiltonian matrix. Next, we extend the analysis to two neighboring molecule pairs in the crystal and we perform similar calculations to evaluate the inter-molecular interactions. From the resulting tight-binding parameters, we analyze the band structure to confirm that two bands overlap and mix in together, supporting the multi-band feature. Furthermore, using a fragment decomposition, we derive the effective model based on the fragment MOs and show that the staking TTM-TTP molecules can be described by the zig-zag two-leg ladder with the inter-molecular transfer integral being larger than the intra-fragment transfer integral within the molecule. The inter-site interactions between the fragments follow a Coulomb law, supporting the fragment decomposition strategy.

  13. 2D modeling of electromagnetic waves in cold plasmas

    SciTech Connect

    Crombé, K.; Van Eester, D.; Koch, R.; Kyrytsya, V.

    2014-02-12

    The consequences of sheath (rectified) electric fields, resulting from the different mobility of electrons and ions as a response to radio frequency (RF) fields, are a concern for RF antenna design as it can cause damage to antenna parts, limiters and other in-vessel components. As a first step to a more complete description, the usual cold plasma dielectric description has been adopted, and the density profile was assumed to be known as input. Ultimately, the relevant equations describing the wave-particle interaction both on the fast and slow timescale will need to be tackled but prior to doing so was felt as a necessity to get a feeling of the wave dynamics involved. Maxwell's equations are solved for a cold plasma in a 2D antenna box with strongly varying density profiles crossing also lower hybrid and ion-ion hybrid resonance layers. Numerical modelling quickly becomes demanding on computer power, since a fine grid spacing is required to capture the small wavelengths effects of strongly evanescent modes.

  14. Nonexistence of the Luttinger-Ward functional and misleading convergence of skeleton diagrammatic series for hubbard-like models.

    PubMed

    Kozik, Evgeny; Ferrero, Michel; Georges, Antoine

    2015-04-17

    The Luttinger-Ward functional Φ[G], which expresses the thermodynamic grand potential in terms of the interacting single-particle Green's function G, is found to be ill defined for fermionic models with the Hubbard on-site interaction. In particular, we show that the self-energy Σ[G]∝δΦ[G]/δG is not a single-valued functional of G: in addition to the physical solution for Σ[G], there exists at least one qualitatively distinct unphysical branch. This result is demonstrated for several models: the Hubbard atom, the Anderson impurity model, and the full two-dimensional Hubbard model. Despite this pathology, the skeleton Feynman diagrammatic series for Σ in terms of G is found to converge at least for moderately low temperatures. However, at strong interactions, its convergence is to the unphysical branch. This reveals a new scenario of breaking down of diagrammatic expansions. In contrast, the bare series in terms of the noninteracting Green's function G0 converges to the correct physical branch of Σ in all cases currently accessible by diagrammatic Monte Carlo calculations. In addition to their conceptual importance, these observations have important implications for techniques based on the explicit summation of the diagrammatic series.

  15. Nonexistence of the Luttinger-Ward Functional and Misleading Convergence of Skeleton Diagrammatic Series for Hubbard-Like Models

    NASA Astrophysics Data System (ADS)

    Kozik, Evgeny; Ferrero, Michel; Georges, Antoine

    2015-04-01

    The Luttinger-Ward functional Φ [G ] , which expresses the thermodynamic grand potential in terms of the interacting single-particle Green's function G , is found to be ill defined for fermionic models with the Hubbard on-site interaction. In particular, we show that the self-energy Σ [G ]∝δ Φ [G ]/δ G is not a single-valued functional of G : in addition to the physical solution for Σ [G ] , there exists at least one qualitatively distinct unphysical branch. This result is demonstrated for several models: the Hubbard atom, the Anderson impurity model, and the full two-dimensional Hubbard model. Despite this pathology, the skeleton Feynman diagrammatic series for Σ in terms of G is found to converge at least for moderately low temperatures. However, at strong interactions, its convergence is to the unphysical branch. This reveals a new scenario of breaking down of diagrammatic expansions. In contrast, the bare series in terms of the noninteracting Green's function G0 converges to the correct physical branch of Σ in all cases currently accessible by diagrammatic Monte Carlo calculations. In addition to their conceptual importance, these observations have important implications for techniques based on the explicit summation of the diagrammatic series.

  16. Threshold for chaos and thermalization in the one-dimensional mean-field bose-hubbard model.

    PubMed

    Cassidy, Amy C; Mason, Douglas; Dunjko, Vanja; Olshanii, Maxim

    2009-01-16

    We study the threshold for chaos and its relation to thermalization in the 1D mean-field Bose-Hubbard model, which, in particular, describes atoms in optical lattices. We identify the threshold for chaos, which is finite in the thermodynamic limit, and show that it is indeed a precursor of thermalization. Far above the threshold, the state of the system after relaxation is governed by the usual laws of statistical mechanics.

  17. Ginzburg-Landau expansion in BCS-BEC crossover region of disordered attractive Hubbard model

    NASA Astrophysics Data System (ADS)

    Kuchinskii, E. Z.; Kuleeva, N. A.; Sadovskii, M. V.

    2017-01-01

    We have studied disorder effects on the coefficients of Ginzburg-Landau expansion for attractive Hubbard model within the generalized DMFT+Σ approximation for the wide region of the values of attractive potential U—from the weak-coupling limit, where superconductivity is described by BCS model, towards the strong coupling, where superconducting transition is related to Bose-Einstein condensation (BEC) of compact Cooper pairs. For the case of semi-elliptic initial density of states disorder influence on the coefficients A and B before the square and the fourth power of the order parameter is universal for at all values of electronic correlations and is related only to the widening of the initial conduction band (density of states) by disorder. Similar universal behavior is valid for superconducting critical temperature Tc (the generalized Anderson theorem) and specific heat discontinuity at the transition. This universality is absent for the coefficient C before the gradient term, which in accordance with the standard theory of "dirty" superconductors is strongly suppressed by disorder in the weak-coupling region, but can slightly grow in BCS-BEC crossover region, becoming almost independent of disorder in the strong coupling region. This leads to rather weak disorder dependence of the penetration depth and coherence length, as well as the slope of the upper critical magnetic field at Tc, in BCS-BEC crossover and strong coupling regions.

  18. Entanglement properties of the antiferromagnetic-singlet transition in the Hubbard model on bilayer square lattices

    DOE PAGES

    Chang, Chia-Chen; Singh, Rajiv R. P.; Scalettar, Richard T.

    2014-10-10

    Here, we calculate the bipartite R enyi entanglement entropy of an L x L x 2 bilayer Hubbard model using a determinantal quantum Monte Carlo method recently proposed by Grover [Phys. Rev. Lett. 111, 130402 (2013)]. Two types of bipartition are studied: (i) One that divides the lattice into two L x L planes, and (ii) One that divides the lattice into two equal-size (L x L=2 x 2) bilayers. Furthermore, we compare our calculations with those for the tight-binding model studied by the correlation matrix method. As expected, the entropy for bipartition (i) scales as L2, while the lattermore » scales with L with possible logarithmic corrections. The onset of the antiferromagnet to singlet transition shows up by a saturation of the former to a maximal value and the latter to a small value in the singlet phase. We also comment on the large uncertainties in the numerical results with increasing U, which would have to be overcome before the critical behavior and logarithmic corrections can be quanti ed.« less

  19. Robust Supersolidity in the V1- V2 Extended Bose-Hubbard Model

    NASA Astrophysics Data System (ADS)

    Greene, Nicole; Pixley, Jedediah

    2016-05-01

    Motivated by ultra-cold atomic gases with long-range interactions in an optical lattice we study the effects of the next-nearest neighbor interaction on the extended Bose-Hubbard model on a square lattice. Using the variational Gutzwiller approach with a four-site unit cell we determine the ground state phase diagrams as a function of the model parameters. We focus on the interplay of each interaction between the nearest neighbor (V1) , the next-nearest neighbor (V2) , and the onsite repulsion (U). We find various super-solid phases that can be described by one of the ordering wave-vectors (π, 0), (0, π) , and (π, π) . In the limits V1, V2 U we find phases reminiscent of the limit V2 = 0 but with a richer super solid structure. For V1

  20. Superconducting properties of the attractive Hubbard model: A slave-boson study

    SciTech Connect

    Bul Robaszkiewicz, S.

    1996-11-01

    The superfluid characteristics of the attractive Hubbard model are analyzed for any coupling {vert_bar}{ital U}{vert_bar} and arbitrary electron concentration (0{lt}{ital n}{lt}2) by means of the slave-boson mean-field method and also by the perturbative treatment of the strong-coupling limit. The slave boson method takes into account correlations of electrons and yields a reliable description of the crossover from BCS-type superconductivity to local pair (composite bosons) superconductivity with increasing {vert_bar}{ital U}{vert_bar}. The results for the ground state (the free energy, the gap in the excitation spectrum) and the electromagnetic characteristics (the critical magnetic field, the London penetration depth, the coherence length) are compared with those obtained by the Hartree-Fock approximation and by the self-consistent second-order perturbation theory in the weak-coupling limit as well as with those obtained using perturbational approaches in the strong-coupling limit. We show that the slave-boson method, in contrast to the Hartree-Fock approximation, gives credible results for all investigated quantities in the whole interaction range, interpolating smoothly between the BCS and local pair regimes. A comparison of theoretical predictions for our simple model with experimental data for various families of short-coherence-length superconductors suggests that the best agreement can be obtained for intermediate values of the local attraction. {copyright} {ital 1996 The American Physical Society.}

  1. Entanglement properties of the antiferromagnetic-singlet transition in the Hubbard model on bilayer square lattices

    SciTech Connect

    Chang, Chia-Chen; Singh, Rajiv R. P.; Scalettar, Richard T.

    2014-10-10

    Here, we calculate the bipartite R enyi entanglement entropy of an L x L x 2 bilayer Hubbard model using a determinantal quantum Monte Carlo method recently proposed by Grover [Phys. Rev. Lett. 111, 130402 (2013)]. Two types of bipartition are studied: (i) One that divides the lattice into two L x L planes, and (ii) One that divides the lattice into two equal-size (L x L=2 x 2) bilayers. Furthermore, we compare our calculations with those for the tight-binding model studied by the correlation matrix method. As expected, the entropy for bipartition (i) scales as L2, while the latter scales with L with possible logarithmic corrections. The onset of the antiferromagnet to singlet transition shows up by a saturation of the former to a maximal value and the latter to a small value in the singlet phase. We also comment on the large uncertainties in the numerical results with increasing U, which would have to be overcome before the critical behavior and logarithmic corrections can be quanti ed.

  2. Organization of the Hilbert space for exact diagonalization of Hubbard model

    NASA Astrophysics Data System (ADS)

    Sharma, Medha; Ahsan, M. A. H.

    2015-08-01

    We present an alternative scheme to the widely used method of representing the basis of one-band Hubbard model through the relation I =I↑ +2MI↓ given by Lin and Gubernatis (1993), where I↑, I↓ and I are the integer equivalents of binary representations of occupation patterns of spin up, spin down and both spin up and spin down electrons respectively, with M being the number of sites. We compute and store only I↑ or I↓ at a time to generate the full Hamiltonian matrix. The non-diagonal part of the Hamiltonian matrix given as I↓ ⊗H↑ ⊕H↓ ⊗I↑ is generated using a bottom-up approach by computing the small matrices H↑ (spin up hopping Hamiltonian) and H↓ (spin down hopping Hamiltonian) and then forming the tensor product with respective identity matrices I↓ and I↑, thereby saving significant computation time and memory. We find that the total CPU time to generate the non-diagonal part of the Hamiltonian matrix using the new one spin configuration basis scheme is reduced by about an order of magnitude as compared to the two spin configuration basis scheme. The present scheme is shown to be inherently parallelizable. Its application to translationally invariant systems, computation of Green's functions and in impurity solver part of DMFT procedure is discussed and its extension to other models is also pointed out.

  3. Self-Consistent Second Order Perturbation Theory for the Hubbard Model in Two Dimensions

    NASA Astrophysics Data System (ADS)

    Nojiri, Hidekazu

    1999-03-01

    We apply self-consistent second order perturbation theory (SCSOPT)with respect to the on-site repulsive interaction Uto study the Hubbard model in two dimensions.We investigate single particle properties of the model over the entiredoping range at zero temperature.It is shown that as doping decreases toward half-fillingω-mass enhancement factor increases,while k-mass enhancement factor decreases.The increase in ω-mass enhancement factor is larger thanthe decrease in k-mass enhancement factor, so that total-mass is larger than that in the non-interacting case.When particle number density per unit cell n is given by0.64

  4. Characterizing the three-orbital Hubbard model with determinant quantum Monte Carlo

    NASA Astrophysics Data System (ADS)

    Kung, Y. F.; Chen, C.-C.; Wang, Yao; Huang, E. W.; Nowadnick, E. A.; Moritz, B.; Scalettar, R. T.; Johnston, S.; Devereaux, T. P.

    2016-04-01

    We characterize the three-orbital Hubbard model using state-of-the-art determinant quantum Monte Carlo (DQMC) simulations with parameters relevant to the cuprate high-temperature superconductors. The simulations find that doped holes preferentially reside on oxygen orbitals and that the (π ,π ) antiferromagnetic ordering vector dominates in the vicinity of the undoped system, as known from experiments. The orbitally-resolved spectral functions agree well with photoemission spectroscopy studies and enable identification of orbital content in the bands. A comparison of DQMC results with exact diagonalization and cluster perturbation theory studies elucidates how these different numerical techniques complement one another to produce a more complete understanding of the model and the cuprates. Interestingly, our DQMC simulations predict a charge-transfer gap that is significantly smaller than the direct (optical) gap measured in experiment. Most likely, it corresponds to the indirect gap that has recently been suggested to be on the order of 0.8 eV, and demonstrates the subtlety in identifying charge gaps.

  5. From ground-state densities to entangled wave functions: an exploration for the Hubbard model

    NASA Astrophysics Data System (ADS)

    Capelle, Klaus

    2015-03-01

    The fundamental Hohenberg-Kohn theorem of density-functional theory (DFT) guarantees that, in principle, all information about a many-body system is contained in it ground-state density. Most effort in DFT is thus directed at finding ways to reliably calculate this density and to extract useful information from it. Quantum-information theory (QIT), on the other hand, is little concerned with ground-state densities, focusing instead on wave functions and density matrices, with a view on exploiting entangled states in information processing. In spite of these different philosophies, many connections exist between both approaches. In this talk, I review of how some of these connections have been discovered and quantified in the context of the Hubbard model: (i) DFT calculations for a model Hamiltonian serve to relate the entanglement entropy to phase transitions; (ii) a local-density-type approximation can be used to calculate the entanglement entropy of spatially inhomogeneous systems, such as cold atoms in optical traps and large superlattices, where traditional numerical methods encounter difficulties; (iii) a combination of DFT with Bethe-Ansatz techniques allows one to calculate the values of system-specific parameters in expressions for the block-block entanglement that remain undetermined in scaling approaches; (iv) the construction of suitable metrics shines light on how the Hohenberg-Kohn theorem relates densities and wave functions for different systems.

  6. Characterizing the three-orbital Hubbard model with determinant quantum Monte Carlo

    SciTech Connect

    Kung, Y. F.; Chen, C. -C.; Wang, Yao; Huang, E. W.; Nowadnick, E. A.; Moritz, B.; Scalettar, R. T.; Johnston, S.; Devereaux, T. P.

    2016-04-29

    Here, we characterize the three-orbital Hubbard model using state-of-the-art determinant quantum Monte Carlo (DQMC) simulations with parameters relevant to the cuprate high-temperature superconductors. The simulations find that doped holes preferentially reside on oxygen orbitals and that the (π,π) antiferromagnetic ordering vector dominates in the vicinity of the undoped system, as known from experiments. The orbitally-resolved spectral functions agree well with photoemission spectroscopy studies and enable identification of orbital content in the bands. A comparison of DQMC results with exact diagonalization and cluster perturbation theory studies elucidates how these different numerical techniques complement one another to produce a more complete understanding of the model and the cuprates. Interestingly, our DQMC simulations predict a charge-transfer gap that is significantly smaller than the direct (optical) gap measured in experiment. Most likely, it corresponds to the indirect gap that has recently been suggested to be on the order of 0.8 eV, and demonstrates the subtlety in identifying charge gaps.

  7. Competing phases and orbital-selective behaviors in the two-orbital Hubbard-Holstein model

    NASA Astrophysics Data System (ADS)

    Li, Shaozhi; Khatami, Ehsan; Johnston, Steven

    2017-03-01

    We study the interplay between the electron-electron (e-e) and the electron-phonon (e-ph) interactions in the two-orbital Hubbard-Holstein model at half-filling using the dynamical mean-field theory. We find that the e-ph interaction, even at weak couplings, strongly modifies the phase diagram of this model and introduces an orbital-selective Peierls insulating phase (OSPI) that is analogous to the widely studied orbital-selective Mott phase (OSMP). At small e-e and e-ph couplings, we find a competition between the OSMP and the OSPI, while at large couplings, a competition occurs between Mott and charge-density-wave (CDW) insulating phases. We further demonstrate that the Hund's coupling influences the OSPI transition by lowering the energy associated with the CDW. Our results explicitly show that one must be cautious when neglecting the e-ph interaction in multiorbital systems, where multiple electronic interactions create states that are readily influenced by perturbing interactions.

  8. Characterizing the three-orbital Hubbard model with determinant quantum Monte Carlo

    DOE PAGES

    Kung, Y. F.; Chen, C. -C.; Wang, Yao; ...

    2016-04-29

    Here, we characterize the three-orbital Hubbard model using state-of-the-art determinant quantum Monte Carlo (DQMC) simulations with parameters relevant to the cuprate high-temperature superconductors. The simulations find that doped holes preferentially reside on oxygen orbitals and that the (π,π) antiferromagnetic ordering vector dominates in the vicinity of the undoped system, as known from experiments. The orbitally-resolved spectral functions agree well with photoemission spectroscopy studies and enable identification of orbital content in the bands. A comparison of DQMC results with exact diagonalization and cluster perturbation theory studies elucidates how these different numerical techniques complement one another to produce a more complete understandingmore » of the model and the cuprates. Interestingly, our DQMC simulations predict a charge-transfer gap that is significantly smaller than the direct (optical) gap measured in experiment. Most likely, it corresponds to the indirect gap that has recently been suggested to be on the order of 0.8 eV, and demonstrates the subtlety in identifying charge gaps.« less

  9. Characterizing the three-orbital Hubbard model with determinant quantum Monte Carlo

    SciTech Connect

    Kung, Y. F.; Chen, C. -C.; Wang, Yao; Huang, E. W.; Nowadnick, E. A.; Moritz, B.; Scalettar, R. T.; Johnston, S.; Devereaux, T. P.

    2016-04-29

    Here, we characterize the three-orbital Hubbard model using state-of-the-art determinant quantum Monte Carlo (DQMC) simulations with parameters relevant to the cuprate high-temperature superconductors. The simulations find that doped holes preferentially reside on oxygen orbitals and that the (π,π) antiferromagnetic ordering vector dominates in the vicinity of the undoped system, as known from experiments. The orbitally-resolved spectral functions agree well with photoemission spectroscopy studies and enable identification of orbital content in the bands. A comparison of DQMC results with exact diagonalization and cluster perturbation theory studies elucidates how these different numerical techniques complement one another to produce a more complete understanding of the model and the cuprates. Interestingly, our DQMC simulations predict a charge-transfer gap that is significantly smaller than the direct (optical) gap measured in experiment. Most likely, it corresponds to the indirect gap that has recently been suggested to be on the order of 0.8 eV, and demonstrates the subtlety in identifying charge gaps.

  10. Non-adiabatic exchange-correlation kernel for the non-equilibrium response of three-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Acharya, Shree Ram; Baral, Nisha; Turkowski, Volodymyr; Rahman, Talat S.

    2015-03-01

    We apply Dynamical Mean-Field Theory (DMFT) to calculate the non-adiabatic (frequency-dependent) exchange-correlation kernel for the three-dimensional Hubbard model. We analyze the dependence of the kernel on the electron doping, local Coulomb repulsion and frequency by using three different impurity solvers: Hubbard-I, Iterative Perturbation Theory (IPT) and Continuous-Time Quantum Monte Carlo (CT-QMC). From the calculated data, we obtain approximate analytical expressions for the kernel. We apply the exact numerical and analytical kernels to study the non-equilibrium response of the system for applied ultrafast laser pulse. We demonstrate that the non-adiabaticity of the kernel plays an important role in the system response; in particular, leading to new excited-states involved in the system dynamics. Work supported in part by DOE Grant No. DOE-DE-FG02-07ER46354.

  11. 2D-model of oxygen emissions lines for Europa

    NASA Astrophysics Data System (ADS)

    Cessateur, Gaël; Barthelemy, Mathieu; Lilensten, Jean; Rubin, Martin; Maggiolo, Romain; De Keyser, Johan

    2017-04-01

    The Jovian moon Europa is an interesting case study as an archetype for icy satellites, and will be one of the primary targets of the ESA JUICE mission which should be launched in 2022. Hosting a thin neutral gas atmosphere mainly composed of O2 and H2O, Europa can be studied by its airglow and dayglow emissions. A 1D photochemistry model has first been developed to assess the impact of the solar UV flux on the visible emission, such as the red and green oxygen lines (Cessateur et al. 2016). For limb polar viewing, red line emissions can reach a few hundreds of Rayleigh close to the surface. The impact of the precipitating electrons has also been studied. The density and temperature of the electrons are first derived from the multifluid MHD model from Rubin et al. (2015). A 2D emission model has thus been developed to estimate the airglow emissions. When electrons are the major source of the visible emissions, the solar UV flux can be responsible for up to 15% of those emissions for some specific line of sight. Oxygen emission lines in the UV have also been considered, such as 130.5 and 135.6 nm. For the latter, we did estimate some significant line emissions reaching 700 Rayleigh for a polar limb viewing angle close to the surface. Oxygen emission lines are significant (higher than 10 R) for altitudes lower than 100 km for all lines, except for the red line emissions where emissions are still above 10 R up to 200 km from the surface. A sensitivity study has also been performed in order to assess the impact of the uncertainties relative to the dissociative-excitation cross sections. Cessateur G, Barthelemy M & Peinke I. Photochemistry-emission coupled model for Europa and Ganymede. J. Space Weather Space Clim., 6, A17, 2016 Rubin, M., et al. Self-consistent multifluid MHD simulations of Europa's exospheric interaction with Jupiter's magnetosphere, J. Geophys. Res. Space Physics, 120, 3503-3524, 2015

  12. Persistent current and Drude weight for the one-dimensional Hubbard model from current lattice density functional theory.

    PubMed

    Akande, A; Sanvito, S

    2012-02-08

    The Bethe ansatz local density approximation (LDA) to lattice density functional theory (LDFT) for the one-dimensional repulsive Hubbard model is extended to current-LDFT (CLDFT). The transport properties of mesoscopic Hubbard rings threaded by a magnetic flux are then systematically investigated by this scheme. In particular we present calculations of ground state energies, persistent currents and Drude weights for both a repulsive homogeneous and a single impurity Hubbard model. Our results for the ground state energies in the metallic phase compare favorably well with those obtained with numerically accurate many-body techniques. Also the dependence of the persistent currents on the Coulomb and the impurity interaction strength, and on the ring size are all well captured by LDA-CLDFT. Our study demonstrates the value of CLDFT in describing the transport properties of one-dimensional correlated electron systems. As its computational overheads are rather modest, we propose this method as a tool for studying problems where both disorder and interaction are present.

  13. 2D DEM model of sand transport with wind interaction

    NASA Astrophysics Data System (ADS)

    Oger, L.; Valance, A.

    2013-06-01

    The advance of the dunes in the desert is a threat to the life of the local people. The dunes invade houses, agricultural land and perturb the circulation on the roads. It is therefore very important to understand the mechanism of sand transport in order to fight against desertification. Saltation in which sand grains are propelled by the wind along the surface in short hops, is the primary mode of blown sand movement [1]. The saltating grains are very energetic and when impact a sand surface, they rebound and consequently eject other particles from the sand bed. The ejected grains, called reptating grains, contribute to the augmentation of the sand flux. Some of them can be promoted to the saltation motion. We use a mechanical model based on the Discrete Element Method to study successive collisions of incident energetic beads with granular packing in the context of Aeolian saltation transport. We investigate the collision process for the case where the incident bead and those from the packing have identical mechanical properties. We analyze the features of the consecutive collision processes made by the transport of the saltating disks by a wind in which its profile is obtained from the counter-interaction between air flow and grain flows. We used a molecular dynamics method known as DEM (soft Discrete Element Method) with a initial static packing of 20000 2D particles. The dilation of the upper surface due to the consecutive collisions is responsible for maintaining the flow at a given energy input due to the wind.

  14. Electron-phonon vertex in the two-dimensional one-band Hubbard model

    NASA Astrophysics Data System (ADS)

    Huang, Z. B.; Hanke, W.; Arrigoni, E.; Scalapino, D. J.

    2003-12-01

    Using quantum Monte Carlo techniques, we study the effects of electronic correlations on the effective electron-phonon (el-ph) coupling in a two-dimensional one-band Hubbard model. We consider a momentum-independent bare ionic el-ph coupling. In the weak- and intermediate-correlation regimes, we find that the on-site Coulomb interaction U acts to effectively suppress the ionic el-ph coupling at all electron and phonon momenta. In this regime, our numerical simulations are in good agreement with the results of perturbation theory to order U2. However, entering the strong-correlation regime, we find that the forward-scattering process stops decreasing and begins to substantially increase as a function of U, leading to an effective el-ph coupling which is peaked in the forward direction. Whereas at weak and intermediate Coulomb interactions, screening is the dominant correlation effect suppressing the el-ph coupling, at larger U values irreducible vertex corrections become more important and give rise to this increase. These vertex corrections depend crucially on the renormalized electronic structure of the strongly correlated system.

  15. Unconventional superconductivity in generalized Hubbard model: role of electron-hole symmetry breaking terms

    NASA Astrophysics Data System (ADS)

    Wysokiński, Marcin M.; Kaczmarczyk, Jan

    2017-03-01

    We investigate the effect of the electron-hole (e-h) symmetry breaking on d-wave superconductivity induced by non-local effects of correlations in the generalized Hubbard model. The symmetry breaking is introduced in a two-fold manner: by the next-to-nearest neighbor hopping of electrons and by the charge-bond interaction—the off-diagonal term of the Coulomb potential. Both terms lead to a pronounced asymmetry of the superconducting order parameter. The next-to-nearest neighbor hopping enhances superconductivity for h-doping, while diminishes it for e-doping. The charge-bond interaction alone leads to the opposite effect and, additionally, to the kinetic-energy gain upon condensation in the underdoped regime. With both terms included, with similar amplitudes, the height of the superconducting dome and the critical doping remain in favor of h-doping. The influence of the charge-bond interaction on deviations from {{d}{{x2}-{{y}2}}} symmetry of the shape of the gap at the Fermi surface in the momentum space is briefly discussed.

  16. Unconventional superconductivity in generalized Hubbard model: role of electron-hole symmetry breaking terms.

    PubMed

    Wysokiński, Marcin M; Kaczmarczyk, Jan

    2017-03-01

    We investigate the effect of the electron-hole (e-h) symmetry breaking on d-wave superconductivity induced by non-local effects of correlations in the generalized Hubbard model. The symmetry breaking is introduced in a two-fold manner: by the next-to-nearest neighbor hopping of electrons and by the charge-bond interaction-the off-diagonal term of the Coulomb potential. Both terms lead to a pronounced asymmetry of the superconducting order parameter. The next-to-nearest neighbor hopping enhances superconductivity for h-doping, while diminishes it for e-doping. The charge-bond interaction alone leads to the opposite effect and, additionally, to the kinetic-energy gain upon condensation in the underdoped regime. With both terms included, with similar amplitudes, the height of the superconducting dome and the critical doping remain in favor of h-doping. The influence of the charge-bond interaction on deviations from [Formula: see text] symmetry of the shape of the gap at the Fermi surface in the momentum space is briefly discussed.

  17. Pair structure and the pairing interaction in a bilayer Hubbard model for unconventional superconductivity

    SciTech Connect

    Maier, Thomas A

    2011-01-01

    The bilayer Hubbard model with an intralayer hopping t and an interlayer hopping t{sub {lambda}} provides an interesting testing ground for several aspects of what has been called unconventional superconductivity. One can study the type of pair structures which arise when there are multiple Fermi surfaces. One can also examine the pairing for a system in which the structure of the spin-fluctuation spectral weight can be changed. Using a dynamic cluster quantum Monte Carlo approximation, we find that near half filling, if the splitting between the bonding and antibonding bands t{sub {lambda}}/t is small, the gap has B{sub 1g} (d{sub x{sup 2}-y{sup 2}}-wave) symmetry, but when the splitting becomes larger, A{sub 1g} (s{sup {+-}}-wave) pairing is favored. We also find that in the s{sup {+-}} pairing region, the pairing is driven by interlayer spin fluctuations and that T{sub c} is enhanced.

  18. Effective Hamiltonian based Monte Carlo for the BCS to BEC crossover in the attractive Hubbard model

    NASA Astrophysics Data System (ADS)

    Pasrija, Kanika; Chakraborty, Prabuddha B.; Kumar, Sanjeev

    2016-10-01

    We present an effective Hamiltonian based real-space approach for studying the weak-coupling BCS to the strong-coupling Bose-Einstein condensate crossover in the two-dimensional attractive Hubbard model at finite temperatures. We introduce and justify an effective classical Hamiltonian to describe the thermal fluctuations of the relevant auxiliary fields. Our results for Tc and phase diagrams compare very well with those obtained from more sophisticated and CPU-intensive numerical methods. We demonstrate that the method works in the presence of disorder and can be a powerful tool for a real-space description of the effect of disorder on superconductivity. From a combined analysis of the superconducting order parameter, the distribution of auxiliary fields, and the quasiparticle density of states, we identify the regions of metallic, insulating, superconducting, and pseudogapped behavior. Our finding of the importance of phase fluctuations for the pseudogap behavior is consistent with the conclusions drawn from recent experiments on NbN superconductors. The method can be generalized to study superconductors with nontrivial order-parameter symmetries by identifying the relevant auxiliary variables.

  19. Doping evolution of spin and charge excitations in the Hubbard model

    DOE PAGES

    Kung, Y. F.; Nowadnick, E. A.; Jia, C. J.; ...

    2015-11-05

    We shed light on how electronic correlations vary across the phase diagram of the cuprate superconductors, examining the doping evolution of spin and charge excitations in the single-band Hubbard model using determinant quantum Monte Carlo (DQMC). In the single-particle response, we observe that the effects of correlations weaken rapidly with doping, such that one may expect the random phase approximation (RPA) to provide an adequate description of the two-particle response. In contrast, when compared to RPA, we find that significant residual correlations in the two-particle excitations persist up to 40% hole and 15% electron doping (the range of dopings achievedmore » in the cuprates). Ultimately, these fundamental differences between the doping evolution of single- and multi-particle renormalizations show that conclusions drawn from single-particle processes cannot necessarily be applied to multi-particle excitations. Eventually, the system smoothly transitions via a momentum-dependent crossover into a weakly correlated metallic state where the spin and charge excitation spectra exhibit similar behavior and where RPA provides an adequate description.« less

  20. Self-consistent Keldysh approach to quenches in the weakly interacting Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Lo Gullo, N.; Dell'Anna, L.

    2016-11-01

    We present a nonequilibrium Green's-functional approach to study the dynamics following a quench in weakly interacting Bose-Hubbard model (BHM). The technique is based on the self-consistent solution of a set of equations which represents a particular case of the most general set of Hedin's equations for the interacting single-particle Green's function. We use the ladder approximation as a skeleton diagram for the two-particle scattering amplitude useful, through the self-energy in the Dyson equation, for finding the interacting single-particle Green's function. This scheme is then implemented numerically by a parallelized code. We exploit this approach to study the correlation propagation after a quench in the interaction parameter, for one and two dimensions. In particular, we show how our approach is able to recover the crossover from the ballistic to the diffusive regime by increasing the boson-boson interaction. Finally we also discuss the role of a thermal initial state on the dynamics both for one- and two-dimensional BHMs, finding that, surprisingly, at high temperature a ballistic evolution is restored.

  1. Orbital nematic order and interplay with magnetism in the two-orbital Hubbard model.

    PubMed

    Wang, Zhentao; Nevidomskyy, Andriy H

    2015-06-10

    Motivated by the recent angle-resolved photoemission spectroscopy (ARPES) on FeSe and iron pnictide families of iron-based superconductors, we have studied the orbital nematic order and its interplay with antiferromagnetism within the two-orbital Hubbard model. We used random phase approximation (RPA) to calculate the dependence of the orbital and magnetic susceptibilities on the strength of interactions and electron density (doping). To account for strong electron correlations not captured by RPA, we further employed non-perturbative variational cluster approximation (VCA) capable of capturing symmetry broken magnetic and orbitally ordered phases. Both approaches show that the electron and hole doping affect the two orders differently. While hole doping tends to suppress both magnetism and orbital ordering, the electron doping suppresses magnetism faster. Crucially, we find a realistic parameter regime for moderate electron doping that stabilizes orbital nematicity in the absence of long-range antiferromagnetic order. This is reminiscent of the non-magnetic orbital nematic phase observed recently in FeSe and a number of iron pnictide materials and raises the possibility that at least in some cases, the observed electronic nematicity may be primarily due to orbital rather than magnetic fluctuations.

  2. Competing phases of the Hubbard model on a triangular lattice: Insights from the entropy

    NASA Astrophysics Data System (ADS)

    Li, Gang; Antipov, Andrey E.; Rubtsov, Alexey N.; Kirchner, Stefan; Hanke, Werner

    2014-04-01

    In this Rapid Communication, we present a comprehensive study of the Hubbard model on the isotropic triangular lattice by using the recently developed ladder dual-fermion approach. This method is a nonlocal extension of the dynamical mean-field theory and is free of finite-size effect. In addition to confirming the much-discussed phase diagram at half-filling, our work provides insights into both hole- and electron-doped regimes and, in particular, the finite-temperature phase diagrams. We find the triangular system to be short-range correlated with an associated magnetic phase diagram, which is asymmetric with respect to hole and electron doping. In contrast to the unfrustrated lattice, it can adiabatically be cooled by increasing the interactions. Strikingly, at the electron-doped side, the entropy displays a maximum. This latter example, as well as other results of our work, may provide insights for a variety of correlated triangular materials, such as the water-intercalated sodium-doped cobaltates.

  3. Pairing symmetries in a Hubbard model on an anisotropic triangular lattice

    NASA Astrophysics Data System (ADS)

    Watanabe, Tsutomu; Yokoyama, Hisatoshi; Tanaka, Yukio; Inoue, Jun-ichiro

    2007-10-01

    To consider the paring symmetry formed in organic compounds κ-(BEDT-TTF)2X, we study the half-filled-band Hubbard model on an anisotropic triangular lattice (t in two bond directions and t‧ in the other), using an optimization VMC method. As trial states, we adopt a coexisting state of an antiferromagnetic (AF) order and the dx2-y2 -wave RVB gap, in addition to the d + id- and d + d-wave gap states. In these states, we take account of the effect of band (or Fermi surface) renormalization. Magnetic Mott transitions occur, and a regime of robust superconductivity could not be found, in contrast with our previous study. In the insulating regime, the coexisting state in which an AF order prevails is always the lowest-energy state up to remarkably large t‧/t (≲1.3), whereas a dxy-wave RVB state becomes predominant when t‧/t exceeds this value. In the insulating regime, the effective Fermi surface, determined by the renormalized value t˜‧ / t , is markedly renormalized into different directions according to t‧/t; for t‧/t ≲ 1.3, it approaches that of the square lattice (t˜‧ / t = 0) , whereas for t‧/t ≳ 1.3, it becomes almost one-dimensional (t˜‧ / t≫ 1) .

  4. Linked-cluster expansion for the Green's function of the infinite-U Hubbard model.

    PubMed

    Khatami, Ehsan; Perepelitsky, Edward; Rigol, Marcos; Shastry, B Sriram

    2014-06-01

    We implement a highly efficient strong-coupling expansion for the Green's function of the Hubbard model. In the limit of extreme correlations, where the onsite interaction is infinite, the evaluation of diagrams simplifies dramatically enabling us to carry out the expansion to the eighth order in powers of the hopping amplitude. We compute the finite-temperature Green's function analytically in the momentum and Matsubara frequency space as a function of the electron density. Employing Padé approximations, we study the equation of state, Kelvin thermopower, momentum distribution function, quasiparticle fraction, and quasiparticle lifetime of the system at temperatures lower than, or of the order of, the hopping amplitude. We also discuss several different approaches for obtaining the spectral functions through analytic continuation of the imaginary frequency Green's function, and show results for the system near half filling. We benchmark our results for the equation of state against those obtained from a numerical linked-cluster expansion carried out to the eleventh order.

  5. Phase diagram of disordered two-dimensional extended Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Gao, Ji-Ming; Tang, Rong-An; Xue, Ju-Kui

    2017-03-01

    By using the inhomogeneous mean-field theory, the phase diagram of the two-dimensional soft-core extended Bose-Hubbard model with both on-site and nearest-neighbor interactions in the presence of spatial disorder is determined. Rich phases, including Mott-insulator, checkerboard solid, supersolid, superfluid and disordered solid are obtained. Interestingly, due to the presence of disorder, a new disordered solid phase is found between the incompressible lobes, and it is demonstrated that the supersolid phase can survive in two-dimensional soft-core bosons. Furthermore, the system undergoes the phase transition from a disordered solid into a solid order or supersolid landscape when the disorder strength is increased. For weak nearest-neighbor repulsion, the increase of the disorder strength induces both checkerboard solid and supersolid phases shrinking to smaller hopping regions. However, for strong nearest-neighbor repulsion, the disorder stabilizes the supersolid phase and makes it occupying a remarkably broad region in the phase diagram. The analytical expressions for the phase boundaries between the incompressible and compressible phases are also obtained, which are in qualitative agreement with our numerical results.

  6. Properties of the t 1 - t 2 one-dimensional Hubbard model at finite temperature

    NASA Astrophysics Data System (ADS)

    Kim, SungKun; Lee, Hunpyo

    2017-08-01

    The one-dimensional t 1 - t 2 half-filled Hubbard model is considered at finite temperatures T within a dynamical cluster approximation (DCA) with N c = 24 in combination with a semiclassical approximation (SCA) impurity solver. The SCA approach accounts for long-range spatial fluctuations, where exact numerical impurity solvers can not capture due to computational expense, even though dynamical fluctuations are freezing. Therefore, it can consider both frequency- and momentum-resolved physical properties beyond the DCA with small cluster in combination with exact impurity solvers. By the computation of the static spin-spin correlation, the density of states, and the double occupancy, we examine the description of the frustrated one-dimensional systems at finite T within given approximations. We confirm not only the interaction-driven metal-insulator transition in the regions of t 2/ t 1 > 0.5, but also the commensurate-incommensurate transition by tunning t 2/ t 1 in the strong interaction region. We also observe finite T-driven metal-insulator transition.

  7. Charge ordering and phase separation in the infinite dimensional extended Hubbard model

    NASA Astrophysics Data System (ADS)

    Tong, Ning-Hua; Shen, Shun-Qing; Bulla, Ralf

    2004-08-01

    We study the extended Hubbard model with both on-site (U) and nearest neighbor (V) Coulomb repulsion using the exact diagonalization method within the dynamical mean field theory. For a fixed U (U=2.0) , the T-n phase diagrams are obtained for V=1.4 and V=1.2 , at which the ground state of n=1/2 system is charge-ordered and charge-disordered, respectively. In both cases, robust charge order is found at finite temperature and in an extended filling regime around n=1/2 . The order parameter changes nonmonotonously with temperature. For V=1.4 , phase separation between charge-ordered and charge-disordered phases is observed in the low temperature and n<0.5 regime. It is described by an “S”-shaped structure of the n-μ curve. For V=1.2 , the ground state is charge-disordered, and a reentrant charge-ordering transition is observed for 0.42

  8. Occupation number and fluctuations in the finite-temperature Bose-Hubbard model

    SciTech Connect

    Plimak, L.I.; Fleischhauer, M.; Olsen, M.K.

    2004-07-01

    We study the occupation numbers and number fluctuations of ultracold atoms in deep optical lattices for finite-temperatures within the Bose-Hubbard model. Simple analytical expressions for the mean occupation number and number fluctuations are obtained in the weak-hopping regime using an interpolation between results from different perturbation approaches in the Mott-insulator and superfluid phases. With this approach the magnitude of number fluctuations under a wide range of experimental conditions can be estimated and the properties of the finite-temperature phase diagram can be studied. These analytical results are compared to exact one-dimensional numerical calculations using a finite temperature variant of the density-matrix renormalization group (DMRG) method and found to have a high degree of accuracy. We find very good agreement, also in the crossover 'thermal' region. We also analyze the influence of finite temperature on the behavior of the system in the vicinity of the zero-temperature phase transition, in one, two, and three dimensions.

  9. Quantum quench dynamics of the Bose-Hubbard model at finite temperatures

    SciTech Connect

    Zhang, J. M.; Shen, C.; Liu, W. M.

    2011-06-15

    We study quench dynamics of the Bose-Hubbard model by exact diagonalization. Initially, the system is at thermal equilibrium and of a finite temperature. The system is then quenched by changing the on-site interaction strength U suddenly. Both the single-quench and double-quench scenarios are considered. In the former case, the time-averaged density matrix and the real-time evolution are investigated. It is found that though the system thermalizes only in a very narrow range of the quenched value of U, it does equilibrate or relax well into a much larger range. Most importantly, it is proven that this is guaranteed for some typical observables in the thermodynamic limit. In order to test whether it is possible to distinguish the unitarily evolving density matrix from the time-averaged (thus time-independent), fully decohered density matrix, a second quench is considered. It turns out that the answer is affirmative or negative depending on whether the intermediate value of U is zero or not.

  10. Interplay of Pomeranchuk instability and superconductivity in the two-dimensional repulsive Hubbard model

    NASA Astrophysics Data System (ADS)

    Kitatani, Motoharu; Tsuji, Naoto; Aoki, Hideo

    2017-02-01

    Interplay of Pomeranchuk instability (spontaneous symmetry breaking of the Fermi surface) and d -wave superconductivity is studied for the repulsive Hubbard model on the square lattice with the dynamical mean-field theory combined with the fluctuation exchange approximation (FLEX+DMFT). We show that the fourfold symmetric Fermi surface becomes unstable against a spontaneous distortion into twofold near the van Hove filling, where the symmetry of superconductivity coexisting with the Pomeranchuk-distorted Fermi surface is modified from the d -wave pairing to the (d +s ) wave. By systematically shifting the position of van Hove filling with varied second- and third-neighbor hoppings, we find that the transition temperature TcPI for the Pomeranchuk instability is more sensitively affected by the position of van Hove filling than the superconducting TcSC. This implies that the filling region for strong Pomeranchuk instability and that for the TcSC dome can be separated, and that Pomeranchuk instability can appear even if the peak of TcPI is lower than the peak of TcSC. An interesting finding is that the Fermi surface distortion can enhance the superconducting TcSC in the overdoped regime, which is explained with a perturbational picture for small distortions.

  11. Dark-polariton bound pairs in the modified Jaynes-Cummings-Hubbard model

    NASA Astrophysics Data System (ADS)

    Maggitti, A.; Radonjić, M.; Jelenković, B. M.

    2016-01-01

    We investigate a one-dimensional modified Jaynes-Cummings-Hubbard chain of N identical QED cavities with nearest-neighbor photon tunneling and periodic boundary conditions. Each cavity contains an embedded three-level atom which is coupled to a cavity mode and an external classical control field. In the case of two excitations and common large detuning of two Raman-resonant fields, we show the emergence of two different species of dark-polariton bound pairs (DPBPs) that are mutually localized in their relative spatial coordinates. Due to the high degree of controllability, we show the appearance of either one or two DPBPs, having the energies within the energy gaps between three bands of mutually delocalized eigenstates. Interestingly, in a different parameter regime with negatively detuned Raman fields, we find that the ground state of the system is a DPBP which can be utilized for the photon storage, retrieval, and controllable state preparation. Moreover, we propose an experimental realization of our model system.

  12. Hidden Mott transition and large-U superconductivity in the two-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Tocchio, Luca F.; Becca, Federico; Sorella, Sandro

    2016-11-01

    We consider the one-band Hubbard model on the square lattice by using variational and Green's function Monte Carlo methods, where the variational states contain Jastrow and backflow correlations on top of an uncorrelated wave function that includes BCS pairing and magnetic order. At half-filling, where the ground state is antiferromagnetically ordered for any value of the on-site interaction U , we can identify a hidden critical point UMott, above which a finite BCS pairing is stabilized in the wave function. The existence of this point is reminiscent of the Mott transition in the paramagnetic sector and determines a separation between a Slater insulator (at small values of U ), where magnetism induces a potential energy gain, and a Mott insulator (at large values of U ), where magnetic correlations drive a kinetic energy gain. Most importantly, the existence of UMott has crucial consequences when doping the system: We observe a tendency for phase separation into hole-rich and hole-poor regions only when doping the Slater insulator, while the system is uniform by doping the Mott insulator. Superconducting correlations are clearly observed above UMott, leading to the characteristic dome structure in doping. Furthermore, we show that the energy gain due to the presence of a finite BCS pairing above UMott shifts from the potential to the kinetic sector by increasing the value of the Coulomb repulsion.

  13. Doping evolution of spin and charge excitations in the Hubbard model

    SciTech Connect

    Kung, Y. F.; Nowadnick, E. A.; Jia, C. J.; Johnston, S.; Moritz, B.; Scalettar, R. T.; Devereaux, T. P.

    2015-11-05

    We shed light on how electronic correlations vary across the phase diagram of the cuprate superconductors, examining the doping evolution of spin and charge excitations in the single-band Hubbard model using determinant quantum Monte Carlo (DQMC). In the single-particle response, we observe that the effects of correlations weaken rapidly with doping, such that one may expect the random phase approximation (RPA) to provide an adequate description of the two-particle response. In contrast, when compared to RPA, we find that significant residual correlations in the two-particle excitations persist up to 40% hole and 15% electron doping (the range of dopings achieved in the cuprates). Ultimately, these fundamental differences between the doping evolution of single- and multi-particle renormalizations show that conclusions drawn from single-particle processes cannot necessarily be applied to multi-particle excitations. Eventually, the system smoothly transitions via a momentum-dependent crossover into a weakly correlated metallic state where the spin and charge excitation spectra exhibit similar behavior and where RPA provides an adequate description.

  14. The phase diagram of the square lattice bilayer Hubbard model: a variational Monte Carlo study

    NASA Astrophysics Data System (ADS)

    Rüger, Robert; Tocchio, Luca F.; Valentí, Roser; Gros, Claudius

    2014-03-01

    We investigate the phase diagram of the square lattice bilayer Hubbard model at half-filling with the variational Monte Carlo method for both the magnetic and the paramagnetic case as a function of the interlayer hopping {{t}_{\\bot }} and on-site Coulomb repulsion U. With this study we resolve some discrepancies in previous calculations based on the dynamical mean-field theory, and we are able to determine the nature of the phase transitions between metal, Mott insulator and band insulator. In the magnetic case we find only two phases: an antiferromagnetic Mott insulator at small {{t}_{\\bot }} for any value of U and a band insulator at large {{t}_{\\bot }}. At large U values we approach the Heisenberg limit. The paramagnetic phase diagram shows at small {{t}_{\\bot }} a metal to Mott insulator transition at moderate U values and a Mott to band insulator transition at larger U values. We also observe a re-entrant Mott insulator to metal transition and metal to band insulator transition for increasing {{t}_{\\bot }} in the range of 5.5t. Finally, we discuss the phase diagrams obtained in relation to findings from previous studies based on different many-body approaches.

  15. 2-D model of ice in the lunar polar regolith

    NASA Astrophysics Data System (ADS)

    Crider, Dana

    If volatiles are present in permanently shadowed craters on the Moon, they appear to be patchy, buried, and/or not very pure. Although some radar data may be indicative of ice deposits on the Moon from Clementine, they are inconclusive regarding the contents of the cold traps because similar signals are found in locations where ice is not expected and may be due to blocky regolith. Neutron measurements indicate that if any lunar ice exists in the topmost meter, it is buried beneath about 10 cm dry regolith and has a concentration of around 0.5 wt.%. These observations differ from those of permanently shadowed regions of Mercury, where radar data are consistent with relatively pure, thick ice buried by 20-30 cm of dry regolith. A lot can be learned about the important processes in delivery and retention of volatiles in permanently shadowed regions by modeling the Moon and Mercury to see which factors reproduce the observed differences. With this goal in mind, we perform 2-D Monte Carlo modeling of the evolution of ice layers on the Moon over time due to impact gardening to examine the relationship between the coherence length and time. The model traces the water content as a function of depth in the lunar regolith in several columns of regolith at set spacing intervals. An initial column ice profile is assumed, for example reflecting ice layer(s) deposited by comets, for each regolith column. The program then simulates a series of impacts onto the region based on the crater frequency function. Each column is modified appropriately for each impact. We examine the ice profiles of the different regolith columns as a function of time, correlating ice thickness, peak concentration, depth, and total ice content over the lateral spacings of the columns. This provides an appropriate view of how well ice layers in lunar permanently shadowed regions remain coherent as a function of time, initial thickness, initial concentration, and lateral distance. This information will aid

  16. Phase diagrams of Bose-Hubbard model and antiferromagnetic spin-1/2 models on a honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Nakafuji, Takashi; Ichinose, Ikuo

    2017-07-01

    Motivated by the recent experimental realization of the Haldane model by ultracold fermions in an optical lattice, we investigate phase diagrams of the hard-core Bose-Hubbard model on a honeycomb lattice. This model is closely related with a spin-1/2 antiferromagnetic (AF) quantum spin model. Nearest-neighbor (NN) hopping amplitude is positive and it prefers an AF configuration of phases of Bose-Einstein condensates. On the other hand, an amplitude of the next-NN hopping depends on an angle variable as in the Haldane model. Phase diagrams are obtained by means of an extended path-integral Monte Carlo simulation. Besides the AF state, a 120∘-order state, there appear other phases including a Bose metal in which no long-range orders exist.

  17. Effective theory and emergent SU(2 ) symmetry in the flat bands of attractive Hubbard models

    NASA Astrophysics Data System (ADS)

    Tovmasyan, Murad; Peotta, Sebastiano; Törmä, Päivi; Huber, Sebastian D.

    2016-12-01

    In a partially filled flat Bloch band electrons do not have a well defined Fermi surface and hence the low-energy theory is not a Fermi liquid. Nevertheless, under the influence of an attractive interaction, a superconductor well described by the Bardeen-Cooper-Schrieffer (BCS) wave function can arise. Here we study the low-energy effective Hamiltonian of a generic Hubbard model with a flat band. We obtain an effective Hamiltonian for the flat band physics by eliminating higher-lying bands via the perturbative Schrieffer-Wolff transformation. At first order in the interaction energy we recover the usual procedure of projecting the interaction term onto the flat band Wannier functions. We show that the BCS wave function is the exact ground state of the projected interaction Hamiltonian, if a simple uniform pairing condition on the single-particle states is satisfied, and that the compressibility is diverging as a consequence of an emergent SU(2 ) symmetry. This symmetry is broken by second-order interband transitions resulting in a finite compressibility, which we illustrate for a one-dimensional ladder with two perfectly flat bands. These results motivate a further approximation leading to an effective ferromagnetic Heisenberg model. The gauge-invariant result for the superfluid weight of a flat band can be obtained from the ferromagnetic Heisenberg model only if the maximally localized Wannier functions in the Marzari-Vanderbilt sense are used. Finally, we prove an important inequality D ≥W2 between the Drude weight D and the winding number W , which guarantees ballistic transport for topologically nontrivial flat bands in one dimension.

  18. A 2D simulation model for urban flood management

    NASA Astrophysics Data System (ADS)

    Price, Roland; van der Wielen, Jonathan; Velickov, Slavco; Galvao, Diogo

    2014-05-01

    The European Floods Directive, which came into force on 26 November 2007, requires member states to assess all their water courses and coast lines for risk of flooding, to map flood extents and assets and humans at risk, and to take adequate and coordinated measures to reduce the flood risk in consultation with the public. Flood Risk Management Plans are to be in place by 2015. There are a number of reasons for the promotion of this Directive, not least because there has been much urban and other infrastructural development in flood plains, which puts many at risk of flooding along with vital societal assets. In addition there is growing awareness that the changing climate appears to be inducing more frequent extremes of rainfall with a consequent increases in the frequency of flooding. Thirdly, the growing urban populations in Europe, and especially in the developing countries, means that more people are being put at risk from a greater frequency of urban flooding in particular. There are urgent needs therefore to assess flood risk accurately and consistently, to reduce this risk where it is important to do so or where the benefit is greater than the damage cost, to improve flood forecasting and warning, to provide where necessary (and possible) flood insurance cover, and to involve all stakeholders in decision making affecting flood protection and flood risk management plans. Key data for assessing risk are water levels achieved or forecasted during a flood. Such levels should of course be monitored, but they also need to be predicted, whether for design or simulation. A 2D simulation model (PriceXD) solving the shallow water wave equations is presented specifically for determining flood risk, assessing flood defense schemes and generating flood forecasts and warnings. The simulation model is required to have a number of important properties: -Solve the full shallow water wave equations using a range of possible solutions; -Automatically adjust the time step and

  19. Modeling ecohydrologic processes at Hubbard Brook: Initial results for Watershed 6 stream discharge and chemistry

    EPA Science Inventory

    The Hubbard Brook Long Term Ecological Research site has produced some of the most extensive and long-running databases on the hydrology, biology and chemistry of forest ecosystem responses to climate and forest harvest. We used these long-term databases to calibrate and apply G...

  20. Modeling ecohydrologic processes at Hubbard Brook: Initial results for Watershed 6 stream discharge and chemistry

    EPA Science Inventory

    The Hubbard Brook Long Term Ecological Research site has produced some of the most extensive and long-running databases on the hydrology, biology and chemistry of forest ecosystem responses to climate and forest harvest. We used these long-term databases to calibrate and apply G...

  1. Phase diagram of the Bose-Hubbard model with T{sub 3} symmetry

    SciTech Connect

    Rizzi, Matteo; Fazio, Rosario; Cataudella, Vittorio

    2006-04-01

    We study the quantum phase transition between the insulating and the globally coherent superfluid phases in the Bose-Hubbard model with T{sub 3} structure, the 'dice lattice'. Even in the absence of any frustration the superfluid phase is characterized by modulation of the order parameter on the different sublattices of the T{sub 3} structure. The zero-temperature critical point as a function of magnetic field shows the characteristic 'butterfly' form. At full frustration the superfluid region is strongly suppressed. In addition, due to the existence of the Aharonov-Bohm cages at f=1/2, we find some evidence for the existence of an intermediate insulating phase characterized by a zero superfluid stiffness but finite compressibility. In this intermediate phase bosons are localized due to the external frustration and the topology of the T{sub 3} lattice. We name this new phase the Aharonov-Bohm insulator. In the presence of charge frustration the phase diagram acquires the typical lobe structure. The form and hierarchy of the Mott insulating states with fractional fillings are dictated by the particular topology of the T{sub 3} lattice. The results presented were obtained by a variety of analytical methods: mean-field and variational techniques to approach the phase boundary from the superconducting side and a strongly coupled expansion appropriate for the Mott insulating region. In addition we performed quantum Monte Carlo simulations of the corresponding (2+1)-dimensional XY model to corroborate the analytical calculations with a more accurate quantitative analysis. We finally discuss experimental realization of the T{sub 3} lattice both with optical lattices and with Josephson junction arrays.

  2. Ginzburg-Landau expansion in strongly disordered attractive Anderson-Hubbard model

    NASA Astrophysics Data System (ADS)

    Kuchinskii, E. Z.; Kuleeva, N. A.; Sadovskii, M. V.

    2017-07-01

    We have studied disordering effects on the coefficients of Ginzburg-Landau expansion in powers of superconducting order parameter in the attractive Anderson-Hubbard model within the generalized DMFT+Σ approximation. We consider the wide region of attractive potentials U from the weak coupling region, where superconductivity is described by BCS model, to the strong coupling region, where the superconducting transition is related with Bose-Einstein condensation (BEC) of compact Cooper pairs formed at temperatures essentially larger than the temperature of superconducting transition, and a wide range of disorder—from weak to strong, where the system is in the vicinity of Anderson transition. In the case of semielliptic bare density of states, disorder's influence upon the coefficients A and B of the square and the fourth power of the order parameter is universal for any value of electron correlation and is related only to the general disorder widening of the bare band (generalized Anderson theorem). Such universality is absent for the gradient term expansion coefficient C. In the usual theory of "dirty" superconductors, the C coefficient drops with the growth of disorder. In the limit of strong disorder in BCS limit, the coefficient C is very sensitive to the effects of Anderson localization, which lead to its further drop with disorder growth up to the region of the Anderson insulator. In the region of BCS-BEC crossover and in BEC limit, the coefficient C and all related physical properties are weakly dependent on disorder. In particular, this leads to relatively weak disorder dependence of both penetration depth and coherence lengths, as well as of related slope of the upper critical magnetic field at superconducting transition, in the region of very strong coupling.

  3. Topologiacl Models of 2D Fractal Cellular Structures

    NASA Astrophysics Data System (ADS)

    Le Caër, G.; Delannay, R.

    1995-11-01

    In space-filling 2D cellular structures with trivalent vertices and in which each cell is constrained to share at most one side with any cell and no side with itself, the maximum fraction of three-sided cells is produced by a decoration of vertices of any initial structure by three-sided cells. Fractal cellular structures are obtained if the latter decoration process is iterated indefinitely. Other methods of constructions of fractal structures are also described. The probability distribution P(n) of the number n of cell sides and some two-cell topological properties of a 2D fractal cellular structure constructed from the triangular Sierpinski gasket are investigated. On the whole, the repartition of cells in 2D structures with n geq 3 and P(3) ne 0 evolve regularly when topological disorder, conveniently measured by the variance μ2 of P(n), increases. The strong correlations which exist among cells, in particular in natural structures (μ2lesssim 5), decrease progressively when μ2 increases, a cell repartition close to a random one being reached for μ2sim 12. We argue that the structures finally evolve to fractal structures (for which μ2 is infinite) but we have not characterized the latter transition. Dans des structures cellulaires 2D à sommets trivalents qui remplissent l'espace et dans lesquelles une cellule partage au plus un côté avec toute autre cellule et aucun avec elle-même, la proportion maximum admissible de cellules à trois côtés est obtenue par une décoration de tous les sommets d'une structure initiale quelconque par des cellules à trois côtés. Des structures cellulaires “fractales” 2D sont ainsi engendrées si le processus précédent est répété à l'infini. D'autres méthodes de constructions de structures fractales sont également décrites. La distribution de probabilité P(n) du nombre n de côtés des cellules ainsi que des corrélations de paires sont étudiées pour une structure cellulaire fractale construite à partir

  4. Unconventional superconducting phases for the two-dimensional extended Hubbard model on a square lattice

    NASA Astrophysics Data System (ADS)

    Huang, Wen-Min; Lai, Chen-Yen; Shi, Chuntai; Tsai, Shan-Wen

    2013-08-01

    We study the phase diagram of the extended Hubbard model on a two-dimensional square lattice, including on-site (U) and nearest-neighbor (V) interactions, at weak couplings. We show that the charge-density wave phase that is known to occur at half filling when 4V>U gives way to a dxy-wave superconducting instability away from half filling, when the Fermi surface is not perfectly nested, and for sufficiently large repulsive V and a range of on-site repulsive interaction U. In addition, when nesting is further suppressed and in the presence of a nearest-neighbor attraction, a triplet time-reversal breaking (px+ipy)-wave pairing instability emerges, competing with the dx2-y2 pairing state that is known to dominate at fillings just slightly away from half. At even smaller fillings, where the Fermi surface no longer presents any nesting, the (px+ipy)-wave superconducting phase dominates in the whole regime of on-site repulsions and nearest-neighbor attractions, while dxy pairing occurs in the presence of on-site attraction. Our results suggest that zero-energy Majorana fermions can be realized on a square lattice in the presence of a magnetic field. For a system of cold fermionic atoms on a two-dimensional square optical lattice, both an on-site repulsion and a nearest-neighbor attraction would be required, in addition to rotation of the system to create vortices. We discuss possible ways of experimentally engineering the required interaction terms in a cold atom system.

  5. Large-U limit of a Hubbard model in a magnetic field: Chiral spin interactions and paramagnetism

    NASA Astrophysics Data System (ADS)

    Sen, Diptiman; Chitra, R.

    1995-01-01

    We consider the large-U limit of the one-band Hubbard model at half-filling on a nonbipartite two-dimensional lattice. An external magnetic field can induce a three-spin chiral interaction at order 1/U2. We discuss situations in which, at low temperatures, the chiral term may have a larger effect than the Pauli coupling of electron spins to a magnetic field. We present a model that explicitly demonstrates this. The ground state is a singlet with a gap; hence the spin susceptibility is zero while the chiral susceptibility is finite and paramagnetic.

  6. Electrically controllable magnetic order in the bilayer Hubbard model on honeycomb lattice: A determinant quantum Monte Carlo study

    NASA Astrophysics Data System (ADS)

    Sun, Jinhua; Xu, Dong-Hui; Zhou, Yi; Zhang, Fu-Chun

    2014-09-01

    In this paper, we use the determinant quantum Monte Carlo method to study the effect of the electric field on the magnetic order in a bilayer Hubbard model on a honeycomb lattice, in which only the direct interlayer hopping energy is included. Our results qualitatively support the layered antiferromagnetic, spin-density wave ground state found in the mean-field theory at the charge neutrality point. The obtained magnetic moments, however, are much smaller than what are estimated in the mean-field theory. As the electric field increases, the magnetic order parameter rapidly decreases.

  7. Steady-state phases and tunneling-induced instabilities in the driven dissipative Bose-Hubbard model.

    PubMed

    Le Boité, Alexandre; Orso, Giuliano; Ciuti, Cristiano

    2013-06-07

    We determine the steady-state phases of a driven-dissipative Bose-Hubbard model, describing, e.g., an array of coherently pumped nonlinear cavities with a finite photon lifetime. Within a mean-field master equation approach using exact quantum solutions for the one-site problem, we show that the system exhibits a tunneling-induced transition between monostable and bistable phases. We characterize the corresponding quantum correlations, highlighting the essential differences with respect to the equilibrium case. We also find collective excitations with a flat energy-momentum dispersion over the entire Brillouin zone that trigger modulational instabilities at specific wave vectors.

  8. Interaction-induced two-photon edge states in an extended Hubbard model realized in a cavity array

    NASA Astrophysics Data System (ADS)

    Gorlach, Maxim A.; Poddubny, Alexander N.

    2017-03-01

    We study theoretically two-photon states in a periodic array of coupled cavities with both on-site and nonlocal Kerr-type nonlinearities. In the absence of nonlinearity the structure is topologically trivial and possesses no edge states. The interplay of two nonlinear interaction mechanisms described by the extended Hubbard model facilitates the formation of edge states of bound photon pairs. Numerical and exact analytical results for the two-photon wave functions are presented. Our findings thus shed light onto the edge states of composite particles and their localization properties.

  9. Role of vertex corrections in the matrix formulation of the random phase approximation for the multiorbital Hubbard model

    SciTech Connect

    Altmeyer, Michaela; Guterding, Daniel; Hirschfeld, P. J.; Maier, Thomas A.; Valentí, Roser; Scalapino, Douglas J.

    2016-12-21

    In the framework of a multiorbital Hubbard model description of superconductivity, a matrix formulation of the superconducting pairing interaction that has been widely used is designed to treat spin, charge, and orbital fluctuations within a random phase approximation (RPA). In terms of Feynman diagrams, this takes into account particle-hole ladder and bubble contributions as expected. It turns out, however, that this matrix formulation also generates additional terms which have the diagrammatic structure of vertex corrections. As a result we examine these terms and discuss the relationship between the matrix-RPA superconducting pairing interaction and the Feynman diagrams that it sums.

  10. Quantitative Determination of the Hubbard Model Phase Diagram from Optical Lattice Experiments by Two-Parameter Scaling

    SciTech Connect

    Campo, V. L. Jr.; Capelle, K.; Quintanilla, J.; Hooley, C.

    2007-12-14

    We propose an experiment to obtain the phase diagram of the fermionic Hubbard model, for any dimensionality, using cold atoms in optical lattices. It is based on measuring the total energy for a sequence of trap profiles. It combines finite-size scaling with an additional 'finite-curvature scaling' necessary to reach the homogeneous limit. We illustrate its viability in the 1D case, simulating experimental data in the Bethe-ansatz local-density approximation. Including experimental errors, the filling corresponding to the Mott transition can be determined with better than 3% accuracy.

  11. Role of vertex corrections in the matrix formulation of the random phase approximation for the multiorbital Hubbard model

    NASA Astrophysics Data System (ADS)

    Altmeyer, Michaela; Guterding, Daniel; Hirschfeld, P. J.; Maier, Thomas A.; Valentí, Roser; Scalapino, Douglas J.

    2016-12-01

    In the framework of a multiorbital Hubbard model description of superconductivity, a matrix formulation of the superconducting pairing interaction that has been widely used is designed to treat spin, charge, and orbital fluctuations within a random phase approximation (RPA). In terms of Feynman diagrams, this takes into account particle-hole ladder and bubble contributions as expected. It turns out, however, that this matrix formulation also generates additional terms which have the diagrammatic structure of vertex corrections. Here we examine these terms and discuss the relationship between the matrix-RPA superconducting pairing interaction and the Feynman diagrams that it sums.

  12. Strong-coupling perturbation theory for the two-dimensional Bose-Hubbard model in a magnetic field

    NASA Astrophysics Data System (ADS)

    Niemeyer, M.; Freericks, J. K.; Monien, H.

    1999-07-01

    The Bose-Hubbard model in an external magnetic field is investigated with strong-coupling perturbation theory. The lowest-order secular equation leads to the problem of a charged particle moving on a lattice in the presence of a magnetic field, which was first treated by Hofstadter. We present phase diagrams for the two-dimensional square and triangular lattices, showing a change in shape of the phase lobes away from the well-known power-law behavior in zero magnetic field. Some qualitative agreement with experimental work on Josephson-junction arrays is found for the insulating phase behavior at small fields.

  13. Magnetic phase diagram and Mott transition of the half-filled 1/5 -depleted Hubbard model with frustration

    NASA Astrophysics Data System (ADS)

    Yamada, Atsushi

    2014-12-01

    The magnetic properties and Mott transition of the half-filled Hubbard model on the 1/5 -depleted square lattice with frustration are studied at zero temperature by the variational cluster approximation. The (π ,π ) Néel ordering is stable in a wide region of the phase diagram and almost completely veils the nonmagnetic Mott transition for the nonfrustrated case. However, (π ,π ) Néel ordering is severely suppressed by the frustration, and even with moderate frustrations the nonmagnetic Mott transition takes place in the range where the intradimer hoppings are larger than the intraplaquette hoppings.

  14. Investigation of a four-body coupling in the one-dimensional extended Penson-Kolb-Hubbard model

    NASA Astrophysics Data System (ADS)

    Ding, Hanqin; Ma, Xiaojuan; Zhang, Jun

    2017-09-01

    The experimental advances in cold fermion gases motivates the investigation of a one-dimensional (1D) correlated electronic system by incorporating a four-body coupling. Using the low-energy field theory scheme and focusing on the weak-coupling regime, we extend the 1D Penson-Kolb-Hubbard (PKH) model at half filling. It is found that the additional four-body interaction may significantly modify the quantum phase diagram, favoring the presence of the superconducting phase even in the case of two-body repulsions.

  15. The Implementation of C-ID, R2D2 Model on Learning Reading Comprehension

    ERIC Educational Resources Information Center

    Rayanto, Yudi Hari; Rusmawan, Putu Ngurah

    2016-01-01

    The purposes of this research are to find out, (1) whether C-ID, R2D2 model is effective to be implemented on learning Reading comprehension, (2) college students' activity during the implementation of C-ID, R2D2 model on learning Reading comprehension, and 3) college students' learning achievement during the implementation of C-ID, R2D2 model on…

  16. Standard model of the rare earths analyzed from the Hubbard I approximation

    NASA Astrophysics Data System (ADS)

    Locht, I. L. M.; Kvashnin, Y. O.; Rodrigues, D. C. M.; Pereiro, M.; Bergman, A.; Bergqvist, L.; Lichtenstein, A. I.; Katsnelson, M. I.; Delin, A.; Klautau, A. B.; Johansson, B.; Di Marco, I.; Eriksson, O.

    2016-08-01

    In this work we examine critically the electronic structure of the rare-earth elements by use of the so-called Hubbard I approximation. From the theoretical side all measured features of both occupied and unoccupied states are reproduced, without significant deviations between observations and theory. We also examine cohesive properties like the equilibrium volume and bulk modulus, where we find, in general, a good agreement between theory and measurements. In addition, we have reproduced the spin and orbital moments of these elements as they are reflected from measurements of the saturation moment. We have also employed the Hubbard I approximation to extract the interatomic exchange parameters of an effective spin Hamiltonian for the heavy rare earths. We show that the Hubbard I approximation gives results which are consistent with calculations where 4 f electrons are treated as core states for Gd. The latter approach was also used to address the series of the heavy/late rare earths. Via Monte Carlo simulations we obtained ordering temperatures which reproduce measurements within about 20 % . We have further illustrated the accuracy of these exchange parameters by comparing measured and calculated magnetic configurations for the heavy rare earths and the magnon dispersion for Gd. The Hubbard I approximation is compared to other theories of the electronic structure, and we argue that it is superior. We discuss the relevance of our results in general and how this makes it possible to treat the electronic structure of materials containing rare-earth elements, such as permanent magnets, magnetostrictive compounds, photovoltaics, optical fibers, topological insulators, and molecular magnets.

  17. Validation of the Ability of Full Configuration Interaction Quantum Monte Carlo for Studying the 2D Hubbard Model

    NASA Astrophysics Data System (ADS)

    Yun, Su-Jun; Dong, Tie-Kuang; Zhu, Shi-Ning

    2017-08-01

    Not Available Supported by the Natural Science Foundation for Colleges and Universities of Jiangsu Province under Grant No 16KJB140008, the National Natural Science Foundation of China under Grant Nos 11447204 and 11647164, the Natural Science Foundation of Jiangsu Province under Grant No BK20151079, and the Scientific Research Foundation of Nanjing Xiaozhuang University under Grant No 2015NXY34.

  18. Towards Quantum Simulation of the 2D Fermi Hubbard Model - Development of a Local Probe of Density and Spin Ordering

    DTIC Science & Technology

    2013-10-24

    high-resolution imaging using this optical transition should be feasible. With ultracold rubidium -87, we observe a quantum phase transition between a...degenerate gases of both 87Rb and 40K in the apparatus described in §3.1. In March 2012, we observed our first Bose Einstein condensate (BEC) of rubidium in...sympathetically cooled in our apparatus. In the spring of 2012, we used cold rubidium to bring potassium to Fermi degeneracy in the magnetic trap. Sympathetic

  19. Interplay between electron-phonon interaction and Hubbard repulsion: Bipolaron formation

    SciTech Connect

    Nath, S.; Mondal, N. S.; Ghosh, N. K.

    2015-06-24

    In the weak coupling limit, the 2D Hubbard model extended by on-site (local) and inter-site (long range) electron-phonon (EP) interaction has been investigated within Lanczos method of exact diagonalization (ED). On-site (S0) bipolaron formation has been favored by on-site EP interaction induced effective attraction between electrons. But, inter-site phonon mediated interaction between electrons helps to form both S0 and neighboring site (S1) bipolaron. It is further observed that both types of bipolaron formation are suppressed by on-site Hubbard repulsion.

  20. 2-D model of the streamer zone of a leader

    NASA Astrophysics Data System (ADS)

    Milikh, G. M.; Likhanskii, A. V.; Shneider, M. N.; Raina, A.; George, A.

    2016-02-01

    Formation of the streamer zone of a leader is an outstanding problem in the physics of electric discharges which is relevant to laboratory leaders, as well as to the leaders formed by lightning. Despite substantial progress in the theoretical understanding of this complicated phenomenon, significant puzzles, such as the low propagation velocity of a leader compared to the fast streamers, remain. The objective of this paper is to present 2-D plasma simulations of the formation and propagation of the streamer zone of a leader. In these simulations we will generate a group of streamers that propagate in a discharge gap while interacting with each other. It is shown that interaction between the streamers significantly reduces their propagation velocity. This explains why the leader, which consists of many streamers, is much slower than a single streamer formed in the same discharge gap. It is shown that the mean velocity suppression of the group of streamers is determined by the inter-streamer distance. The critical value of the packing factor of the streamers at which the interactions between them can be neglected, and thus the discussed process can be treated as caused by a single streamer, is obtained.

  1. Completeness of the classical 2D Ising model and universal quantum computation.

    PubMed

    Van den Nest, M; Dür, W; Briegel, H J

    2008-03-21

    We prove that the 2D Ising model is complete in the sense that the partition function of any classical q-state spin model (on an arbitrary graph) can be expressed as a special instance of the partition function of a 2D Ising model with complex inhomogeneous couplings and external fields. In the case where the original model is an Ising or Potts-type model, we find that the corresponding 2D square lattice requires only polynomially more spins with respect to the original one, and we give a constructive method to map such models to the 2D Ising model. For more general models the overhead in system size may be exponential. The results are established by connecting classical spin models with measurement-based quantum computation and invoking the universality of the 2D cluster states.

  2. "Twisted" rational r-matrices and the algebraic Bethe ansatz: Applications to generalized Gaudin models, Bose-Hubbard dimers, and Jaynes-Cummings-Dicke-type models

    NASA Astrophysics Data System (ADS)

    Skrypnyk, T. V.

    2016-10-01

    We construct quantum integrable systems associated with the Lie algebra gl( n) and non-skew-symmetric "shifted and twisted" rational r-matrices. The obtained models include Gaudin-type models with and without an external magnetic field, n-level ( n-1)-mode Jaynes-Cummings-Dicke-type models in the Λ-configuration, a vector generalization of Bose-Hubbard dimers, etc. We diagonalize quantum Hamiltonians of the constructed integrable models using a nested Bethe ansatz.

  3. Le modele de Hubbard bidimensionnel a faible couplage: Thermodynamique et phenomenes critiques

    NASA Astrophysics Data System (ADS)

    Roy, Sebastien

    Une etude systematique du modele de Hubbard en deux dimensions a faible couplage a l'aide de la theorie Auto-Coherente a Deux Particules (ACDP) dans le diagramme temperature-dopage-interaction-sauts permet de mettre en evidence l'influence des fluctuations magnetiques sur les proprietes thermodynamiques du systeme electronique sur reseau. Le regime classique renormalise a temperature finie pres du dopage nul est marque par la grandeur de la longueur de correlation de spin comparee a la longueur thermique de de Broglie et est caracterisee par un accroissement drastique de la longueur de correlation de spin. Cette croissance exponentielle a dopage nul marque la presence d'un pic de chaleur specifique en fonction de la temperature a basse temperature. Une temperature de crossover est alors associee a la temperature a laquelle la longueur de correlation de spin est egale a la longueur thermique de de Broglie. C'est a cette temperature caracteristique, ou est observee l'ouverture du pseudogap dans le poids spectral, que se situe le maximum du pic de chaleur specifique. La presence de ce pic a des consequences sur l'evolution du potentiel chimique avec le dopage lorsque l'uniformite thermodynamique est respectee. Les contraintes imposees par les lois de la thermodynamique font en sorte que l'evolution du potentiel chimique avec le dopage est non triviale. On demontre entre autres que le potentiel chimique est proportionnel a la double occupation qui est reliee au moment local. Par ailleurs, une derivation de la fonction de mise a l'echelle de la susceptibilite de spin a frequence nulle au voisinage d'un point critique marque sans equivoque la presence d'un point critique quantique en dopage pour une valeur donnee de l'interaction. Ce point critique, associe a une transition de phase magnetique en fonction du dopage a temperature nulle, induit un comportement non trivial sur les proprietes physiques du systeme a temperature finie. L'approche quantitative ACDP permet de

  4. Transport and optical conductivity in the Hubbard model: A high-temperature expansion perspective

    NASA Astrophysics Data System (ADS)

    Perepelitsky, Edward; Galatas, Andrew; Mravlje, Jernej; Žitko, Rok; Khatami, Ehsan; Shastry, B. Sriram; Georges, Antoine

    2016-12-01

    We derive analytical expressions for the spectral moments of the dynamical response functions of the Hubbard model using the high-temperature series expansion. We consider generic dimension d as well as the infinite-d limit, arbitrary electron density n , and both finite and infinite repulsion U . We use moment-reconstruction methods to obtain the one-electron spectral function, the self-energy, and the optical conductivity. They are all smooth functions at high temperature and, at large U , they are featureless with characteristic widths of the order of the lattice hopping parameter t . In the infinite-d limit, we compare the series expansion results with accurate numerical renormalization group and interaction expansion quantum Monte Carlo results. We find excellent agreement down to surprisingly low temperatures, throughout most of the bad-metal regime, which applies for T ≳(1 -n )D , the Brinkman-Rice scale. The resistivity increases linearly in T at high temperature without saturation. This results from the 1 /T behavior of the compressibility or kinetic energy, which play the role of the effective carrier number. In contrast, the scattering time (or diffusion constant) saturates at high T . We find that σ (n ,T )≈(1 -n )σ (n =0 ,T ) to a very good approximation for all n , with σ (n =0 ,T )∝t /T at high temperatures. The saturation at small n occurs due to a compensation between the density dependence of the effective number of carriers and that of the scattering time. The T dependence of the resistivity displays a kneelike feature which signals a crossover to the intermediate-temperature regime where the diffusion constant (or scattering time) starts increasing with decreasing T . At high temperatures, the thermopower obeys the Heikes formula, while the Wiedemann-Franz law is violated with the Lorenz number vanishing as 1 /T2 . The relevance of our calculations to experiments probing high-temperature transport in materials with strong electronic

  5. Determinant quantum Monte Carlo study of the two-dimensional single-band Hubbard-Holstein model

    DOE PAGES

    Johnston, S.; Nowadnick, E. A.; Kung, Y. F.; ...

    2013-06-24

    Here, we performed numerical studies of the Hubbard-Holstein model in two dimensions using determinant quantum Monte Carlo (DQMC). We also present details of the method, emphasizing the treatment of the lattice degrees of freedom, and then study the filling and behavior of the fermion sign as a function of model parameters. We find a region of parameter space with large Holstein coupling where the fermion sign recovers despite large values of the Hubbard interaction. This indicates that studies of correlated polarons at finite carrier concentrations are likely accessible to DQMC simulations. We then restrict ourselves to the half-filled model andmore » examine the evolution of the antiferromagnetic structure factor, other metrics for antiferromagnetic and charge-density-wave order, and energetics of the electronic and lattice degrees of freedom as a function of electron-phonon coupling. From this we find further evidence for a competition between charge-density-wave and antiferromagnetic order at half- filling.« less

  6. Method to efficiently simulate the thermodynamic properties of the Fermi-Hubbard model on a quantum computer

    NASA Astrophysics Data System (ADS)

    Dallaire-Demers, Pierre-Luc; Wilhelm, Frank K.

    2016-03-01

    Many phenomena of strongly correlated materials are encapsulated in the Fermi-Hubbard model whose thermodynamic properties can be computed from its grand-canonical potential. In general, there is no closed-form expression of the grand-canonical potential for lattices of more than one spatial dimension, but solutions can be numerically approximated using cluster methods. To model long-range effects such as order parameters, a powerful method to compute the cluster's Green's function consists of finding its self-energy through a variational principle. This allows the possibility of studying various phase transitions at finite temperature in the Fermi-Hubbard model. However, a classical cluster solver quickly hits an exponential wall in the memory (or computation time) required to store the computation variables. Here it is shown theoretically that the cluster solver can be mapped to a subroutine on a quantum computer whose quantum memory usage scales linearly with the number of orbitals in the simulated cluster and the number of measurements scales quadratically. A quantum computer with a few tens of qubits could therefore simulate the thermodynamic properties of complex fermionic lattices inaccessible to classical supercomputers.

  7. Ultrafast Response of the Hubbard Model: Non-adiabatic TDDFT + DMFT versus Non-equilibrium DMFT Solution

    NASA Astrophysics Data System (ADS)

    Acharya, Shree Ram; Turkowski, Volodymyr; Rahman, Talat S.

    We study the ultrafast response of electrons in the one-band Hubbard model to an external laser-pulse perturbation by using the Non-adiabatic Time-Dependent Density Functional Theory + Dynamical Mean-Field Theory (TDDFT +DMFT) approach. The corresponding exchange-correlation kernel (XC) is obtained from the DMFT charge susceptibility by using the Quantum Monte Carlo solver for the impurity problem. Detailed analysis of the time-dependent excited charge density, the Fermi distribution function, and the spatially nonhomogeneous response (metallic domain growth), is performed for different values for the carrier density and local Coulomb repulsion. We compare the results with the corresponding non-equilibrium DMFT solutions, and demonstrate that non-adiabaticity (frequency-dependence) of the XC kernel is important in order to reproduce the non-equilibrium DMFT solution. Also, from the numerical results for the charge susceptibility, we obtain an approximate analytical expression for the XC kernel. Using this kernel, we reveal possible types of ''elementary'' excitations and the dynamics of metallic domain growth in the case of the one-band Hubbard model. Possible generalization of the approach to the multi-orbital case is discussed. Work supported in part by DOE Grant No. DOE-DE-FG02-07ER46354.

  8. Analysis and resolution of the ground-state degeneracy of the two-component Bose-Hubbard model.

    PubMed

    Wang, Wei; Penna, Vittorio; Capogrosso-Sansone, Barbara

    2014-08-01

    We study the degeneracy of the ground-state energy E of the two-component Bose-Hubbard model and of the perturbative correction E(1). We show that the degeneracy properties of E and E(1) are closely related to the connectivity properties of the lattice. We determine general conditions under which E is nondegenerate. This analysis is then extended to investigate the degeneracy of E(1). In this case, in addition to the lattice structure, the degeneracy also depends on the number of particles present in the system. After identifying the cases in which E(1) is degenerate and observing that the standard (degenerate) perturbation theory is not applicable, we develop a method to determine the zeroth-order correction to the ground state by exploiting the symmetry properties of the lattice. This method is used to implement the perturbative approach to the two-component Bose-Hubbard model in the case of degenerate E(1) and is expected to be a valid tool to perturbatively study the asymmetric character of the Mott insulator to superfluid transition between the particle and hole side.

  9. 2D modeling of the regeneration surface growth on crystals

    NASA Astrophysics Data System (ADS)

    Thomas, V. G.; Gavryushkin, P. N.; Fursenko, D. A.

    2012-11-01

    A physical model is proposed to describe the growth of regeneration surfaces (flat crystal surfaces that are not parallel to any possible faces). According to this model, the change in the growth rate of a regeneration surface during its evolution and the decrease in the number of subindividuals forming the growth front can be explained by the implementation of two types of geometric selection: within each subindividual (the absorption of rapidly growing faces by slowly growing ones) and between subindividuals (when subindividuals absorb each other). A numerical modeling of the growth of the regeneration surface (30.30.19) of potassium alum crystals showed quantitative agreement between the model proposed and the experimental data.

  10. A fully coupled 2D model of equiaxed eutectic solidification

    SciTech Connect

    Charbon, Ch.; LeSar, R.

    1995-12-31

    We propose a model of equiaxed eutectic solidification that couples the macroscopic level of heat diffusion with the microscopic level of nucleation and growth of the eutectic grains. The heat equation with the source term corresponding to the latent heat release due to solidification is calculated numerically by means of an implicit finite difference method. In the time stepping scheme, the evolution of solid fraction is deduced from a stochastic model of nucleation and growth which uses the local temperature (interpolated from the FDM mesh) to determine the local grain density and the local growth rate. The solid-liquid interface of each grain is tracked by using a subdivision of each grain perimeter in a large number of sectors. The state of each sector (i.e. whether it is still in contact with the liquid or already captured by an other grain) and the increase of radius of each grain during one time step allows one to compute the increase of solid fraction. As for deterministic models, the results of the model are the evolution of temperature and of solid fraction at any point of the sample. Moreover the model provides a complete picture of the microstructure, thus not limiting the microstructural information to the average grain density but allowing one to compute any stereological value of interest. We apply the model to the solidification of gray cast iron.

  11. Improvement of a 2D numerical model of lava flows

    NASA Astrophysics Data System (ADS)

    Ishimine, Y.

    2013-12-01

    I propose an improved procedure that reduces an improper dependence of lava flow directions on the orientation of Digital Elevation Model (DEM) in two-dimensional simulations based on Ishihara et al. (in Lava Flows and Domes, Fink, JH eds., 1990). The numerical model for lava flow simulations proposed by Ishihara et al. (1990) is based on two-dimensional shallow water model combined with a constitutive equation for a Bingham fluid. It is simple but useful because it properly reproduces distributions of actual lava flows. Thus, it has been regarded as one of pioneer work of numerical simulations of lava flows and it is still now widely used in practical hazard prediction map for civil defense officials in Japan. However, the model include an improper dependence of lava flow directions on the orientation of DEM because the model separately assigns the condition for the lava flow to stop due to yield stress for each of two orthogonal axes of rectangular calculating grid based on DEM. This procedure brings a diamond-shaped distribution as shown in Fig. 1 when calculating a lava flow supplied from a point source on a virtual flat plane although the distribution should be circle-shaped. To improve the drawback, I proposed a modified procedure that uses the absolute value of yield stress derived from both components of two orthogonal directions of the slope steepness to assign the condition for lava flows to stop. This brings a better result as shown in Fig. 2. Fig. 1. (a) Contour plots calculated with the original model of Ishihara et al. (1990). (b) Contour plots calculated with a proposed model.

  12. Anomalous invasion in a 2d model of chemotactic predation

    NASA Astrophysics Data System (ADS)

    Willemsen, Jorge F.

    2010-09-01

    It has been hypothesized that plankton predators sense the presence of their prey through detection of chemical signals exuded by the prey. This process is formulated using elements of existing models, tailored to correspond to the specific process under investigation. The motivation for the resulting model is discussed in detail. Numerical results are then presented. It is found that the front representing the advance of the predator into the prey is irregular in a novel way, and the reasons for this anomalous invasion are discussed. It is recognized that reaction-diffusion models, starting perhaps with Turing, can lead to what might have been thought of as anomalous patterns - yet the “flicker” front advance discovered here is indeed novel.

  13. Spiral magnetism in the single-band Hubbard model: the Hartree-Fock and slave-boson approaches

    NASA Astrophysics Data System (ADS)

    Igoshev, P. A.; Timirgazin, M. A.; Gilmutdinov, V. F.; Arzhnikov, A. K.; Irkhin, V. Yu

    2015-11-01

    The ground-state magnetic phase diagram is investigated within the single-band Hubbard model for square and different cubic lattices. The results of employing the generalized non-correlated mean-field (Hartree-Fock) approximation and generalized slave-boson approach by Kotliar and Ruckenstein with correlation effects included are compared. We take into account commensurate ferromagnetic, antiferromagnetic, and incommensurate (spiral) magnetic phases, as well as phase separation into magnetic phases of different types, which was often lacking in previous investigations. It is found that the spiral states and especially ferromagnetism are generally strongly suppressed up to non-realistically large Hubbard U by the correlation effects if nesting is absent and van Hove singularities are well away from the paramagnetic phase Fermi level. The magnetic phase separation plays an important role in the formation of magnetic states, the corresponding phase regions being especially wide in the vicinity of half-filling. The details of non-collinear and collinear magnetic ordering for different cubic lattices are discussed.

  14. Bethe-Salpeter eigenvalues and amplitudes for the half-filled two-dimensional Hubbard model

    SciTech Connect

    Bulut, N. ); Scalapino, D.J. ); White, S.R. )

    1993-06-01

    Monte Carlo simulations are used to determine the eigenvalues and eigenfunctions of the particle-hole and particle-particle Bethe-Salpeter equations for 8[times]8 half-filled Hubbard lattice with [ital U]/[ital t]=4 and [ital U]/[ital t]=8. In the particle-hole channel, the dominant eigenvalue corresponds to the [bold Q]=([pi],[pi]) antiferromagnetic correlations. In the particle-particle channel the amplitude of the leading low-temperature eigenvalue is an even-frequency [ital d][sub [ital x

  15. Simple representation of the eigenstates of the Uto infty one dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Dias, Ricardo G.; Lopes Dos Santos, J. M. B.

    1992-10-01

    We have constructed an exact map of the Uto infty one dimensional Hubbard Hamiltonian onto a system of free fermions related to the charge degrees of freedom (holons). The spin configuration only influences the energy in so far as the fermions move in a loop which is threaded by a fictitious magnetic flux proportional to the spin configuration's total momentum. A rather simple and physically appealing interpretation of some of the features of the Bethe Ansatz solution is possible in this representation. We illustrated its use with a calculation of the t/U corrections to the energy.

  16. Thermalization rates in the one-dimensional Hubbard model with next-to-nearest neighbor hopping

    NASA Astrophysics Data System (ADS)

    Biebl, Fabian R. A.; Kehrein, Stefan

    2017-03-01

    We consider a fermionic Hubbard chain with an additional next-to-nearest neighbor hopping term. We study the thermalization rates of the quasimomentum distribution function within a quantum Boltzmann equation approach. We find that the thermalization rates are proportional to the square of the next-to-nearest neighbor hopping: Even weak next-to-nearest neighbor hopping in addition to nearest neighbor hopping leads to thermalization in a two-particle scattering quantum Boltzmann equation in one dimension. We also investigate the temperature dependence of the thermalization rates, which away from half filling become exponentially small for small temperature of the final thermalized distribution.

  17. Implementation of Minimal Representations in 2d Ising Model Calculations

    DTIC Science & Technology

    1992-05-01

    Re r’ u. 60:252-262.263-276. 1941. [Ons44] Lars Onsager . Crystal statistics I. A two-dimensional model with an order-disorder transition. Physical Re...ID lattices but the subject really came to life in 1944 when Onsager [Ons44] derived an exact closed form expression for the partition function (see

  18. Development of CCHE2D embankment break model

    USDA-ARS?s Scientific Manuscript database

    Earthen embankment breach often results in detrimental impact on downstream residents and infrastructure, especially those located in the flooding zone. Embankment failures are most commonly caused by overtopping or internal erosion. This study is to develop a practical numerical model for simulat...

  19. Hubbard parameters for metallic Ce

    SciTech Connect

    Boring, A.M.; Albers, R.C.; Eriksson, O. ); Koelling, D.D. )

    1992-04-27

    We have obtained a phase diagram of the {alpha}{r arrow}{gamma} transition (moment formation) as a function of the {ital U} and {ital J} Kanamori Hubbard parameters. Overlap and hybridization terms are obtained by a tight-binding fit to first-principles band calculations. At the one-electron level we obtain no fundamental change in the interaction energies in going through the {alpha}{r arrow}{gamma} transition region. This is the first model to obtain self-consistent values for the Hubbard parameters in the solid state and they are in reasonable agreement with the experimentally derived values.

  20. Modeling 2-D jets impinging on Stirling regenerators

    NASA Technical Reports Server (NTRS)

    Gedeon, David

    1989-01-01

    The extent to which flow leaving Stirling coolers or heaters in the form of high-velocity jets penetrate the regenerator matrix is visually modeled using a computer program. Two-dimensional laminar jets are shown impinging on regenerator samples of variable permeability ranging from no matrix at all to matrices dense enough to stop the jet dead on. The results lend credibility to a simple tension for flow uniformity as a function of penetration depth.

  1. A mathematical model for foreign body reactions in 2D

    PubMed Central

    Su, Jianzhong; Gonzales, Humberto Perez; Todorov, Michail; Kojouharov, Hristo; Tang, Liping

    2010-01-01

    The foreign body reactions are commonly referred to the network of immune and inflammatory reactions of human or animals to foreign objects placed in tissues. They are basic biological processes, and are also highly relevant to bioengineering applications in implants, as fibrotic tissue formations surrounding medical implants have been found to substantially reduce the effectiveness of devices. Despite of intensive research on determining the mechanisms governing such complex responses, few mechanistic mathematical models have been developed to study such foreign body reactions. This study focuses on a kinetics-based predictive tool in order to analyze outcomes of multiple interactive complex reactions of various cells/proteins and biochemical processes and to understand transient behavior during the entire period (up to several months). A computational model in two spatial dimensions is constructed to investigate the time dynamics as well as spatial variation of foreign body reaction kinetics. The simulation results have been consistent with experimental data and the model can facilitate quantitative insights for study of foreign body reaction process in general. PMID:21532988

  2. Towards Interpretive Models for 2-D Processing of Speech

    DTIC Science & Technology

    2011-04-26

    implementation, on the model. Furthermore, we motivate a choice of region size in WGCT analysis along the frequency dimension. A synthetic vowel ...3500 Hz (65, 90, 156, 200 Hz) to generate y[n] (i.e., a female /ael vowel , [13]). Spectrograms are computed as in the previous section though a...T’mein) 6 Figure 8. (a) Spedrogi"am of vowel with local region highlighted (white); (b) high-pass mtered version of (a) for use iD reconstruction; (c

  3. Conservation laws and LETKF with 2D Shallow Water Model

    NASA Astrophysics Data System (ADS)

    Zeng, Yuefei; Janjic, Tijana

    2016-04-01

    Numerous approaches have been proposed to maintain physical conservation laws in the numerical weather prediction models. However, to achieve a reliable prediction, adequate initial conditions are also necessary, which are produced by a data assimilation algorithm. If an ensemble Kalman filters (EnKF) is used for this purpose, it has been shown that it could yield unphysical analysis ensemble that for example violates principles of mass conservation and positivity preservation (e.g. Janjic et al 2014) . In this presentation, we discuss the selection of conservation criteria for the analysis step, and start with testing the conservation of mass, energy and enstrophy. The simple experiments deal with nonlinear shallow water equations and simulated observations that are assimilated with LETKF (Localized Ensemble Transform Kalman Filter, Hunt et al. 2007). The model is discretized in a specific way to conserve mass, angular momentum, energy and enstrophy. The effects of the data assimilation on the conserved quantities (of mass, energy and enstrophy) depend on observation covarage, localization radius, observed variable and observation operator. Having in mind that Arakawa (1966) and Arakawa and Lamb (1977) showed that the conservation of both kinetic energy and enstrophy by momentum advection schemes in the case of nondivergent flow prevents systematic and unrealistic energy cascade towards high wave numbers, a cause of excessive numerical noise and possible eventual nonlinear instability, we test the effects on prediction depending on the type of errors in the initial condition. The performance with respect to nonlinear energy cascade is assessed as well.

  4. SToRM: A Model for 2D environmental hydraulics

    USGS Publications Warehouse

    Simões, Francisco J. M.

    2017-01-01

    A two-dimensional (depth-averaged) finite volume Godunov-type shallow water model developed for flow over complex topography is presented. The model, SToRM, is based on an unstructured cell-centered finite volume formulation and on nonlinear strong stability preserving Runge-Kutta time stepping schemes. The numerical discretization is founded on the classical and well established shallow water equations in hyperbolic conservative form, but the convective fluxes are calculated using auto-switching Riemann and diffusive numerical fluxes. Computational efficiency is achieved through a parallel implementation based on the OpenMP standard and the Fortran programming language. SToRM’s implementation within a graphical user interface is discussed. Field application of SToRM is illustrated by utilizing it to estimate peak flow discharges in a flooding event of the St. Vrain Creek in Colorado, U.S.A., in 2013, which reached 850 m3/s (~30,000 f3 /s) at the location of this study.

  5. NKG2D-deficient mice are defective in tumor surveillance in models of spontaneous malignancy

    PubMed Central

    Guerra, Nadia; Tan, Ying Xim; Joncker, Nathalie T.; Choy, Augustine; Gallardo, Fermin; Xiong, Na; Knoblaugh, Susan; Cado, Dragana; Greenberg, Norman R.; Raulet, David H.

    2012-01-01

    SUMMARY Ligands for the NKG2D stimulatory receptor are frequently upregulated on tumor lines, rendering them sensitive to NK cells, but the role of NKG2D in tumor surveillance has not been addressed in spontaneous cancer models. Here, we provided the first characterization of NKG2D-deficient mice, including evidence that NKG2D was not necessary for NK cell development, but was critical for immunosurveillance of epithelial and lymphoid malignancies in two transgenic models of de novo tumorigenesis. In both models, we detected NKG2D ligands on the tumor cell surface ex vivo, providing needed evidence for ligand expression by primary tumors. In a prostate cancer model, aggressive tumors arising in NKG2D-deficient mice expressed higher amounts of NKG2D ligands than did similar tumors in wild-type mice, suggesting an NKG2D-dependent immuno-editing of tumors in this model. These findings provide important genetic evidence for surveillance of primary tumors by an NK receptor. PMID:18394936

  6. Approaches to numerical solution of 2D Ising model

    NASA Astrophysics Data System (ADS)

    Soldatov, K. S.; Nefedev, K. V.; Kapitan, V. Yu; Andriushchenko, P. D.

    2016-08-01

    Parallel algorithm of partition function calculation of two-dimensional Ising model for systems with a finite number of spins was developed. Within a method of complete enumeration by using MPI technology with subsequent optimization of a parallel code time of calculations was reduced considerably. Partition function was calculated for systems of 16, 25, 36 Ising spins. Based on the obtained results, main thermodynamic and magnetic values dependences (such as heat capacity, magnetic susceptibility, mean square magnetization) for ferromagnetic and antiferromagnetic interactions was investigated. The analysis of a different configurations contribution showed, that states with the minimum energy have essential influence on dependences of thermodynamic values. Comparison with the results obtained by the Wang Landau algorithm was performed.

  7. Multiscale equatorial electrojet turbulence:Baseline 2-D model

    NASA Astrophysics Data System (ADS)

    Hassan, Ehab; Horton, W.; Smolyakov, A. I.; Hatch, D. R.; Litt, S. K.

    2015-02-01

    The spatial and spectral characteristics of the turbulent plasma density, electric fields, and ion drift in ionospheric E region are studied using a new set of nonlinear plasma fluid equations. The fluid model combines both Farley-Buneman (Type-I) and Gradient-Drift (Type-II) plasma instabilities in the equatorial electrojet. In our unified model of the plasma instabilities, we include the ion viscosity in the ion momentum equation and electron inertia in the electron momentum equation. These two terms play an important role in stabilizing the growing modes in the linear regime and in driving the Farley-Buneman instability into the saturation state. The simulation results show good agreements with a number of features of rocket and radar observations, such as (1) saturation of plasma density perturbations depends on the solar condition and reaches 7-15% relative to the background, (2) fluctuation of the horizontal secondary electric field reaches 8-15 mV/m, (3) stabilization of the phase velocity of the perturbed density wave around the value of the ion-acoustic speed inside the electrojet, (4) "up-down" asymmetry in the vertical fluxes of the plasma density, (5) "east-west" asymmetry of the plasma zonal drifts, and (6) generation of small scale of the order of meter scale lengths irregularities embedded in large-scale structures. Spectral analysis of the density fluctuations reveals the energy cascade due to the nonlinear coupling between structures of different scales. The break-up of the large-scale structures into small-scale structures explains the disappearance of Type-II echoes in the presence of Type-I instabilities.

  8. Dynamics of intraoceanic subduction initiation: 2D thermomechanical modeling

    NASA Astrophysics Data System (ADS)

    Zhou, X.; Gerya, T.; LI, Z.; Stern, R. J.

    2016-12-01

    Intraoceanic subduction initiation occurs in previous weak zones which could be transform faults or old fracture zones, and concurrents with the change of plate motions. It is an important process to understand the beginning of plate tectonics. However, the dynamic process during (after) subduction initiation remain obscure. The process of suducting slabs move from down to downdip is also not revealed clearly. In order to obtain better understanding of the transitional process of subducting slab motion, we use finite difference and marker-in-cell methods to establish a series of self-sustainable subduction initiation models and explore many visco-plastic parameters to qualify the dynamical process of subduction initiation. The following parameters are systematic tested: (1) the age of the subducting slab; (2) friction coefficient of the mantle material; (3) the mantle potential temperature; (4) the age of the overriding slab. We find out the critical age of the oceanic lithosphere which can produce subduction initiation. And the age of subducting slab plays important roles during subduction initiation. The young subducting slab induces fast trench retreat and then trench begin to advance. For the old subducting slab, it induces relative slower trench retreat and then stop moving. The age of overriding slabs impacts coupling with the subducting slab. The friction coefficient of lithosphere also impacts the backarc spreading and subduction velocity. Stronger subducted plate gives lower subduction velocity and faster trench retreat velocity. The mantle potential temperature changes the critical age of subducted slabs.

  9. A 2D model to design MHD induction pumps

    NASA Astrophysics Data System (ADS)

    Stieglitz, R.; Zeininger, J.

    2006-09-01

    Technical liquid metal systems accompanied by a thermal transfer of energy such as reactor systems, metallurgical processes, metal refinement, casting, etc., require a forced convection of the fluid. The increased temperatures and more often the environmental conditions as, e.g., in a nuclear environment, pumping principles are required, in which rotating parts are absent. Additionally, in many applications a controlled atmosphere is indispensable, in order to ensure the structural integrity of the duct walls. An interesting option to overcome the sealing problem of a mechanical pump towards the surrounding is offered by induction systems. Although their efficiency compared to that of turbo machines is quite low, they have several advantages, which are attractive to the specific requirements in liquid metal applications such as: - low maintenance costs due to the absence of sealings, bearings and moving parts; - low degradation rate of the structural material; - simple replacement of the inductor without cut of the piping system; - fine regulation of flow rate by different inductor connections; - change of pump characteristics without change of the mechanical set-up. Within the article, general design requirements of electromagnetic pumps (EMP) are elaborated. The design of two annular linear induction pumps operating with sodium and lead-bismuth are presented and the calculated pump characteristics and experimentally obtained data are compared. In this context, physical effects leading to deviations between the model and the real data are addressed. Finally, the main results are summarized. Tables 4, Figs 4, Refs 12.

  10. Simulation of subgrid orographic precipitation with an embedded 2-D cloud-resolving model

    NASA Astrophysics Data System (ADS)

    Jung, Joon-Hee; Arakawa, Akio

    2016-03-01

    By explicitly resolving cloud-scale processes with embedded two-dimensional (2-D) cloud-resolving models (CRMs), superparameterized global atmospheric models have successfully simulated various atmospheric events over a wide range of time scales. Up to now, however, such models have not included the effects of topography on the CRM grid scale. We have used both 3-D and 2-D CRMs to simulate the effects of topography with prescribed "large-scale" winds. The 3-D CRM is used as a benchmark. The results show that the mean precipitation can be simulated reasonably well by using a 2-D representation of topography as long as the statistics of the topography such as the mean and standard deviation are closely represented. It is also shown that the use of a set of two perpendicular 2-D grids can significantly reduce the error due to a 2-D representation of topography.

  11. Mott transition and magnetism of the triangular-lattice Hubbard model with next-nearest-neighbor hopping

    NASA Astrophysics Data System (ADS)

    Misumi, Kazuma; Kaneko, Tatsuya; Ohta, Yukinori

    2017-02-01

    The variational cluster approximation is used to study the isotropic triangular-lattice Hubbard model at half filling, taking into account the nearest-neighbor (t1) and next-nearest-neighbor (t2) hopping parameters for magnetic frustrations. We determine the ground-state phase diagram of the model. In the strong-correlation regime, the 120∘ Néel- and stripe-ordered phases appear, and a nonmagnetic insulating phase emerges in between. In the intermediate correlation regime, the nonmagnetic insulating phase expands to a wider parameter region, which goes into a paramagnetic metallic phase in the weak-correlation regime. The critical phase boundary of the Mott metal-insulator transition is discussed in terms of the van Hove singularity evident in the calculated density of states and single-particle spectral function.

  12. Measurement and modelling of magnetic properties of soft magnetic composite material under 2D vector magnetisations

    NASA Astrophysics Data System (ADS)

    Guo, Y. G.; Zhu, J. G.; Zhong, J. J.

    2006-07-01

    This paper reports the measurement and modelling of magnetic properties of SOMALOY TM 500, a soft magnetic composite (SMC) material, under different 2D vector magnetisations, such as alternating along one direction, circularly and elliptically rotating in a 2D plane. By using a 2D magnetic property tester, the B- H curves and core losses of the SMC material have been measured with different flux density patterns on a single sheet square sample. The measurements can provide useful information for modelling of the magnetic properties, such as core losses. The core loss models have been successfully applied in the design of rotating electrical machines with SMC core.

  13. Predominance of the multimagnon incoherent component and minuteness of the zero-magnon coherent component in one-body Green's functions for half-filled Hubbard models

    NASA Astrophysics Data System (ADS)

    Tomita, Norikazu; Nasu, Keiichiro

    1999-09-01

    Weights of the multimagnon (incoherent) component and the zero-magnon (coherent) one in the Lehmann's spectral representation of the one-body Green's functions are determined for the one- and the two-dimensional half-filled Hubbard models. The one-body Green's functions with specific momenta are calculated by means of a quantum Monte Carlo simulation. To distinguish the coherent component from the incoherent one in this Lehmann's spectrum, a site-diagonal staggered potential Δ is artificially added to the Hubbard models. Due to this Δ, an energy gap opens in the magnon excitation, and as a result, the coherent component is clearly separated from the incoherent one. Systematic analysis on the Δ dependence of these two components shows that the weight of the coherent component is less than a few percent for each dimension in the limit of Δ-->0, which corresponds with the usual Hubbard model. This means that the incoherent component predominates the spectrum, while the coherent component makes only a minute contribution. In contrast to the widely accepted one-electron band picture, our calculations indicate that the so-called lower Hubbard band peak in the photoemission spectrum of the metal-oxide insulator originates mainly from this incoherent component. It does not correspond with the coherent one that reflects a one-electron state.

  14. Floquet Engineering of Correlated Tunneling in the Bose-Hubbard Model with Ultracold Atoms.

    PubMed

    Meinert, F; Mark, M J; Lauber, K; Daley, A J; Nägerl, H-C

    2016-05-20

    We report on the experimental implementation of tunable occupation-dependent tunneling in a Bose-Hubbard system of ultracold atoms via time-periodic modulation of the on-site interaction energy. The tunneling rate is inferred from a time-resolved measurement of the lattice site occupation after a quantum quench. We demonstrate coherent control of the tunneling dynamics in the correlated many-body system, including full suppression of tunneling as predicted within the framework of Floquet theory. We find that the tunneling rate explicitly depends on the atom number difference in neighboring lattice sites. Our results may open up ways to realize artificial gauge fields that feature density dependence with ultracold atoms.

  15. Floquet Engineering of Correlated Tunneling in the Bose-Hubbard Model with Ultracold Atoms

    NASA Astrophysics Data System (ADS)

    Meinert, F.; Mark, M. J.; Lauber, K.; Daley, A. J.; Nägerl, H.-C.

    2016-05-01

    We report on the experimental implementation of tunable occupation-dependent tunneling in a Bose-Hubbard system of ultracold atoms via time-periodic modulation of the on-site interaction energy. The tunneling rate is inferred from a time-resolved measurement of the lattice site occupation after a quantum quench. We demonstrate coherent control of the tunneling dynamics in the correlated many-body system, including full suppression of tunneling as predicted within the framework of Floquet theory. We find that the tunneling rate explicitly depends on the atom number difference in neighboring lattice sites. Our results may open up ways to realize artificial gauge fields that feature density dependence with ultracold atoms.

  16. Site-resolved measurement of the spin-correlation function in the Fermi-Hubbard model.

    PubMed

    Parsons, Maxwell F; Mazurenko, Anton; Chiu, Christie S; Ji, Geoffrey; Greif, Daniel; Greiner, Markus

    2016-09-16

    Exotic phases of matter can emerge from strong correlations in quantum many-body systems. Quantum gas microscopy affords the opportunity to study these correlations with unprecedented detail. Here, we report site-resolved observations of antiferromagnetic correlations in a two-dimensional, Hubbard-regime optical lattice and demonstrate the ability to measure the spin-correlation function over any distance. We measure the in situ distributions of the particle density and magnetic correlations, extract thermodynamic quantities from comparisons to theory, and observe statistically significant correlations over three lattice sites. The temperatures that we reach approach the limits of available numerical simulations. The direct access to many-body physics at the single-particle level demonstrated by our results will further our understanding of how the interplay of motion and magnetism gives rise to new states of matter. Copyright © 2016, American Association for the Advancement of Science.

  17. Incremental expansions for the ground-state energy of the two-dimensional Hubbard model

    SciTech Connect

    Malek, J.; Flach, S.; Kladko, K.

    1999-02-01

    A generalization of Faddeev{close_quote}s approach of the three-body problem to the many-body problem leads to the method of increments. This method was recently applied to account for the ground-state properties of Hubbard-Peierls chains [J. Malek, K. Kladko, and S. Flach, JETP Lett. {bold 67}, 1052 (1998)]. Here we generalize this approach to two-dimensional square lattices and explicitly treat the incremental expansion up to third order. Comparing our numerical results with various other approaches (Monte Carlo, cumulant approaches) we show that incremental expansions are very efficient because good accuracy with these approaches is achieved treating lattice segments composed of eight sites only. {copyright} {ital 1999} {ital The American Physical Society}

  18. Site-resolved measurement of the spin-correlation function in the Fermi-Hubbard model

    NASA Astrophysics Data System (ADS)

    Parsons, Maxwell F.; Mazurenko, Anton; Chiu, Christie S.; Ji, Geoffrey; Greif, Daniel; Greiner, Markus

    2016-09-01

    Exotic phases of matter can emerge from strong correlations in quantum many-body systems. Quantum gas microscopy affords the opportunity to study these correlations with unprecedented detail. Here, we report site-resolved observations of antiferromagnetic correlations in a two-dimensional, Hubbard-regime optical lattice and demonstrate the ability to measure the spin-correlation function over any distance. We measure the in situ distributions of the particle density and magnetic correlations, extract thermodynamic quantities from comparisons to theory, and observe statistically significant correlations over three lattice sites. The temperatures that we reach approach the limits of available numerical simulations. The direct access to many-body physics at the single-particle level demonstrated by our results will further our understanding of how the interplay of motion and magnetism gives rise to new states of matter.

  19. Epitope spreading of the anti-CYP2D6 antibody response in patients with autoimmune hepatitis and in the CYP2D6 mouse model.

    PubMed

    Hintermann, Edith; Holdener, Martin; Bayer, Monika; Loges, Stephanie; Pfeilschifter, Josef M; Granier, Claude; Manns, Michael P; Christen, Urs

    2011-11-01

    Autoimmune hepatitis (AIH) is a serious chronic inflammatory disease of the liver with yet unknown etiology and largely uncertain immunopathology. The hallmark of type 2 AIH is the generation of liver kidney microsomal-1 (LKM-1) autoantibodies, which predominantly react to cytochrome P450 2D6 (CYP2D6). The identification of disease initiating factors has been hampered in the past, since antibody epitope mapping was mostly performed using serum samples collected late during disease resulting in the identification of immunodominant epitopes not necessarily representing those involved in disease initiation. In order to identify possible environmental triggers for AIH, we analyzed for the first time the spreading of the anti-CYP2D6 antibody response over a prolonged period of time in AIH patients and in the CYP2D6 mouse model, in which mice infected with Adenovirus-human CYP2D6 (Ad-h2D6) develop antibodies with a similar specificity than AIH patients. Epitope spreading was analyzed in six AIH-2-patients and in the CYP2D6 mouse model using SPOTs membranes containing peptides covering the entire CYP2D6 protein. Despite of a considerable variation, both mice and AIH patients largely focus their humoral immune response on an immunodominant epitope early after infection (mice) or diagnosis (patients). The CYP2D6 mouse model revealed that epitope spreading is initiated at the immunodominant epitope and later expands to neighboring and remote regions. Sequence homologies to human pathogens have been detected for all identified epitopes. Our study demonstrates that epitope spreading does indeed occur during the pathogenesis of AIH and supports the concept of molecular mimicry as a possible initiating mechanism for AIH.

  20. Decrease of d -wave pairing strength in spite of the persistence of magnetic excitations in the overdoped Hubbard model

    DOE PAGES

    Huang, Edwin W.; Scalapino, Douglas J.; Maier, Thomas A.; ...

    2017-07-17

    Evidence for the presence of high-energy magnetic excitations in overdoped La2–xSrxCuO4 (LSCO) has raised questions regarding the role of spin fluctuations in the pairing mechanism. If they remain present in overdoped LSCO, why does Tc decrease in this doping regime? Here, using results for the dynamic spin susceptibility Imχ(q,ω) obtained from a determinantal quantum Monte Carlo calculation for the Hubbard model, we address this question. We find that while high-energy magnetic excitations persist in the overdoped regime, they lack the momentum to scatter pairs between the antinodal regions. Finally, it is the decrease in the spectral weight at large momentummore » transfer, not observed by resonant inelastic x-ray scattering, which leads to a reduction in the d-wave spin-fluctuation pairing strength.« less

  1. Superfluid density and quasi-long-range order in the one-dimensional disordered Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Gerster, M.; Rizzi, M.; Tschirsich, F.; Silvi, P.; Fazio, R.; Montangero, S.

    2016-01-01

    We study the equilibrium properties of the one-dimensional disordered Bose-Hubbard model by means of a gauge-adaptive tree tensor network variational method suitable for systems with periodic boundary conditions. We compute the superfluid stiffness and superfluid correlations close to the superfluid to glass transition line, obtaining accurate locations of the critical points. By studying the statistics of the exponent of the power-law decay of the correlation, we determine the boundary between the superfluid region and the Bose glass phase in the regime of strong disorder and in the weakly interacting region, not explored numerically before. In the former case our simulations are in agreement with previous Monte Carlo calculations.

  2. Non-local order parameters as a probe for phase transitions in the extended Fermi-Hubbard model

    NASA Astrophysics Data System (ADS)

    Barbiero, Luca; Fazzini, Serena; Montorsi, Arianna

    2017-07-01

    The Extended Fermi-Hubbard model is a rather studied Hamiltonian due to both its many applications and a rich phase diagram. Here we prove that all the phase transitions encoded in its one dimensional version are detectable via non-local operators related to charge and spin fluctuations. The main advantage in using them is that, in contrast to usual local operators, their asymptotic average value is finite only in the appropriate gapped phases. This makes them powerful and accurate probes to detect quantum phases. Our results indeed confirm that they are able to properly capture both the nature and the location of the transitions. Relevantly, this happens also for conducting phases with a spin gap, thus providing an order parameter for the identification of superconducting and paired superfluid phases.

  3. Decrease of d -wave pairing strength in spite of the persistence of magnetic excitations in the overdoped Hubbard model

    NASA Astrophysics Data System (ADS)

    Huang, Edwin W.; Scalapino, Douglas J.; Maier, Thomas A.; Moritz, Brian; Devereaux, Thomas P.

    2017-07-01

    Evidence for the presence of high-energy magnetic excitations in overdoped La2 -xSrxCuO4 (LSCO) has raised questions regarding the role of spin fluctuations in the pairing mechanism. If they remain present in overdoped LSCO, why does Tc decrease in this doping regime? Here, using results for the dynamic spin susceptibility Im χ (q ,ω ) obtained from a determinantal quantum Monte Carlo calculation for the Hubbard model, we address this question. We find that while high-energy magnetic excitations persist in the overdoped regime, they lack the momentum to scatter pairs between the antinodal regions. It is the decrease in the spectral weight at large momentum transfer, not observed by resonant inelastic x-ray scattering, which leads to a reduction in the d -wave spin-fluctuation pairing strength.

  4. Triplet p + ip pairing correlations in the doped Kane-Mele-Hubbard model: A quantum Monte Carlo study

    DOE PAGES

    Ma, Tianxing; Lin, Hai-Qing; Gubernatis, James E.

    2015-09-01

    By using the constrained-phase quantum Monte Carlo method, we performed a systematic study of the pairing correlations in the ground state of the doped Kane-Mele-Hubbard model on a honeycomb lattice. We find that pairing correlations with d + id symmetry dominate close to half filling, but pairing correlations with p+ip symmetry dominate as hole doping moves the system below three-quarters filling. We correlate these behaviors of the pairing correlations with the topology of the Fermi surfaces of the non-interacting problem. We also find that the effective pairing correlation is enhanced greatly as the interaction increases, and these superconducting correlations aremore » robust against varying the spin-orbit coupling strength. Finally, our numerical results suggest a possible way to realize spin triplet superconductivity in doped honeycomb-like materials or ultracold atoms in optical traps.« less

  5. Momentum structure of the self-energy and its parametrization for the two-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Pudleiner, P.; Schäfer, T.; Rost, D.; Li, G.; Held, K.; Blümer, N.

    2016-05-01

    We compute the self-energy for the half-filled Hubbard model on a square lattice using lattice quantum Monte Carlo simulations and the dynamical vertex approximation. The self-energy is strongly momentum-dependent, but it can be parametrized via the noninteracting energy-momentum dispersion ɛk, except for pseudogap features right at the Fermi edge. That is, it can be written as Σ (ɛk,ω ) , with two energylike parameters (ɛ , ω ) instead of three (kx, ky, and ω ). The self-energy has two rather broad and weakly dispersing high-energy features and a sharp ω =ɛk feature at high temperatures, which turns to ω =-ɛk at low temperatures. Altogether this yields a Z - and reversed-Z -like structure, respectively, for the imaginary part of Σ (ɛk,ω ) . We attribute the change of the low-energy structure to antiferromagnetic spin fluctuations.

  6. Solutions of the Two-Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms

    NASA Astrophysics Data System (ADS)

    LeBlanc, J. P. F.; Antipov, Andrey E.; Becca, Federico; Bulik, Ireneusz W.; Chan, Garnet Kin-Lic; Chung, Chia-Min; Deng, Youjin; Ferrero, Michel; Henderson, Thomas M.; Jiménez-Hoyos, Carlos A.; Kozik, E.; Liu, Xuan-Wen; Millis, Andrew J.; Prokof'ev, N. V.; Qin, Mingpu; Scuseria, Gustavo E.; Shi, Hao; Svistunov, B. V.; Tocchio, Luca F.; Tupitsyn, I. S.; White, Steven R.; Zhang, Shiwei; Zheng, Bo-Xiao; Zhu, Zhenyue; Gull, Emanuel; Simons Collaboration on the Many-Electron Problem

    2015-10-01

    Numerical results for ground-state and excited-state properties (energies, double occupancies, and Matsubara-axis self-energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an assessment of our ability to compute accurate results in the thermodynamic limit. Many methods are employed, including auxiliary-field quantum Monte Carlo, bare and bold-line diagrammatic Monte Carlo, method of dual fermions, density matrix embedding theory, density matrix renormalization group, dynamical cluster approximation, diffusion Monte Carlo within a fixed-node approximation, unrestricted coupled cluster theory, and multireference projected Hartree-Fock methods. Comparison of results obtained by different methods allows for the identification of uncertainties and systematic errors. The importance of extrapolation to converged thermodynamic-limit values is emphasized. Cases where agreement between different methods is obtained establish benchmark results that may be useful in the validation of new approaches and the improvement of existing methods.

  7. Solutions of the Two Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms

    NASA Astrophysics Data System (ADS)

    Leblanc, James

    In this talk we present numerical results for ground state and excited state properties (energies, double occupancies, and Matsubara-axis self energies) of the single-orbital Hubbard model on a two-dimensional square lattice. In order to provide an assessment of our ability to compute accurate results in the thermodynamic limit we employ numerous methods including auxiliary field quantum Monte Carlo, bare and bold-line diagrammatic Monte Carlo, method of dual fermions, density matrix embedding theory, density matrix renormalization group, dynamical cluster approximation, diffusion Monte Carlo within a fixed node approximation, unrestricted coupled cluster theory, and multireference projected Hartree-Fock. We illustrate cases where agreement between different methods is obtained in order to establish benchmark results that should be useful in the validation of future results.

  8. Non-Fermi Liquid Behavior and Continuously Tunable Resistivity Exponents in the Anderson-Hubbard Model at Finite Temperature

    NASA Astrophysics Data System (ADS)

    Patel, Niravkumar D.; Mukherjee, Anamitra; Kaushal, Nitin; Moreo, Adriana; Dagotto, Elbio

    2017-08-01

    We employ a recently developed computational many-body technique to study for the first time the half-filled Anderson-Hubbard model at finite temperature and arbitrary correlation U and disorder V strengths. Interestingly, the narrow zero temperature metallic range induced by disorder from the Mott insulator expands with increasing temperature in a manner resembling a quantum critical point. Our study of the resistivity temperature scaling Tα for this metal reveals non-Fermi liquid characteristics. Moreover, a continuous dependence of α on U and V from linear to nearly quadratic is observed. We argue that these exotic results arise from a systematic change with U and V of the "effective" disorder, a combination of quenched disorder and intrinsic localized spins.

  9. Probabilistic Cellular Automata for Low-Temperature 2-d Ising Model

    NASA Astrophysics Data System (ADS)

    Procacci, Aldo; Scoppola, Benedetto; Scoppola, Elisabetta

    2016-12-01

    We construct a parallel stochastic dynamics with invariant measure converging to the Gibbs measure of the 2-d low-temperature Ising model. The proof of such convergence requires a polymer expansion based on suitably defined Peierls-type contours.

  10. The immunoreceptor NKG2D promotes tumour growth in a model of hepatocellular carcinoma

    PubMed Central

    Sheppard, Sam; Guedes, Joana; Mroz, Anna; Zavitsanou, Anastasia-Maria; Kudo, Hiromi; Rothery, Stephen M.; Angelopoulos, Panagiotis; Goldin, Robert; Guerra, Nadia

    2017-01-01

    Inflammation is recognized as one of the drivers of cancer. Yet, the individual immune components that possess pro- and anti-tumorigenic functions in individual cancers remain largely unknown. NKG2D is a potent activating immunoreceptor that has emerged as an important player in inflammatory disorders besides its well-established function as tumour suppressor. Here, we provide genetic evidence of an unexpected tumour-promoting effect of NKG2D in a model of inflammation-driven liver cancer. Compared to NKG2D-deficient mice, NKG2D-sufficient mice display accelerated tumour growth associated with, an increased recruitment of memory CD8+T cells to the liver and exacerbated pro-inflammatory milieu. In addition, we show that NKG2D contributes to liver damage and consequent hepatocyte proliferation known to favour tumorigenesis. Thus, the NKG2D/NKG2D-ligand pathway provides an additional mechanism linking chronic inflammation to tumour development in hepatocellular carcinoma. Our findings expose the need to selectively target the types of cancer that could benefit from NKG2D-based immunotherapy. PMID:28128200

  11. GEO2D - Two-Dimensional Computer Model of a Ground Source Heat Pump System

    DOE Data Explorer

    James Menart

    2013-06-07

    This file contains a zipped file that contains many files required to run GEO2D. GEO2D is a computer code for simulating ground source heat pump (GSHP) systems in two-dimensions. GEO2D performs a detailed finite difference simulation of the heat transfer occurring within the working fluid, the tube wall, the grout, and the ground. Both horizontal and vertical wells can be simulated with this program, but it should be noted that the vertical wall is modeled as a single tube. This program also models the heat pump in conjunction with the heat transfer occurring. GEO2D simulates the heat pump and ground loop as a system. Many results are produced by GEO2D as a function of time and position, such as heat transfer rates, temperatures and heat pump performance. On top of this information from an economic comparison between the geothermal system simulated and a comparable air heat pump systems or a comparable gas, oil or propane heating systems with a vapor compression air conditioner. The version of GEO2D in the attached file has been coupled to the DOE heating and cooling load software called ENERGYPLUS. This is a great convenience for the user because heating and cooling loads are an input to GEO2D. GEO2D is a user friendly program that uses a graphical user interface for inputs and outputs. These make entering data simple and they produce many plotted results that are easy to understand. In order to run GEO2D access to MATLAB is required. If this program is not available on your computer you can download the program MCRInstaller.exe, the 64 bit version, from the MATLAB website or from this geothermal depository. This is a free download which will enable you to run GEO2D..

  12. CAST2D: A finite element computer code for casting process modeling

    SciTech Connect

    Shapiro, A.B.; Hallquist, J.O.

    1991-10-01

    CAST2D is a coupled thermal-stress finite element computer code for casting process modeling. This code can be used to predict the final shape and stress state of cast parts. CAST2D couples the heat transfer code TOPAZ2D and solid mechanics code NIKE2D. CAST2D has the following features in addition to all the features contained in the TOPAZ2D and NIKE2D codes: (1) a general purpose thermal-mechanical interface algorithm (i.e., slide line) that calculates the thermal contact resistance across the part-mold interface as a function of interface pressure and gap opening; (2) a new phase change algorithm, the delta function method, that is a robust method for materials undergoing isothermal phase change; (3) a constitutive model that transitions between fluid behavior and solid behavior, and accounts for material volume change on phase change; and (4) a modified plot file data base that allows plotting of thermal variables (e.g., temperature, heat flux) on the deformed geometry. Although the code is specialized for casting modeling, it can be used for other thermal stress problems (e.g., metal forming).

  13. Stability analysis and breast tumor classification from 2D ARMA models of ultrasound images.

    PubMed

    Abdulsadda, A; Bouaynaya, N; Iqbal, K

    2009-01-01

    Two-dimensional (2D) autoregressive moving average (ARMA) random fields have been proven to be accurate models of ultrasound breast images. However, the stability properties of these models have not been examined. In this paper, we investigate the stability of 2D ARMA models in ultrasound breast images, and use the estimated 2D ARMA coefficients as a basis for statistical inference using artificial neural networks. Specifically, we use the estimated 2D ARMA coefficients as inputs to a Multi layer perceptron (MLP) neural network to classify the ultrasound breast image into three regions: healthy tissue, benign tumor, and cancerous tumor. Our simulation results on various cancerous and benign ultrasound breast images illustrate the power of the proposed algorithm as attested by different learning algorithms and classification accuracy measures.

  14. Representativeness of 2D models to simulate 3D unstable variable density flow in porous media

    NASA Astrophysics Data System (ADS)

    Knorr, Bastian; Xie, Yueqing; Stumpp, Christine; Maloszewski, Piotr; Simmons, Craig T.

    2016-11-01

    Variable density flow in porous media has been studied primarily using numerical models because it is a semi-chaotic and transient process. Most of these studies have been 2D, owing to the computational restrictions on 3D simulations, and the ability to observe variable density flow in 2D experimentation. However, it is recognised that variable density flow is a three-dimensional process. A 3D system may cause weaker variable density flow than a 2D system due to stronger dispersion, but may also result in bigger fingers and hence stronger variable density flow because of more space for fingers to coalesce. This study aimed to determine the representativeness of 2D modelling to simulate 3D variable density flow. 3D homogeneous sand column experiments were conducted at three different water flow velocities with three different bromide tracer solutions mixed with methanol resulting in different density ratios. Both 2D axisymmetric and 3D numerical simulations were performed to reproduce experimental data. Experimental results showed that the magnitude of variable density flow increases with decreasing flow rates and decreasing density ratios. The shapes of the observed breakthrough curves differed significantly from those produced by 2D axisymmetric and 3D simulations. Compared to 2D simulations, the onset of instabilities was delayed but the growth was more pronounced in 3D simulations. Despite this difference, both 2D axisymmetric and 3D models successfully simulated mass recovery with high efficiency (between 77% and 99%). This study indicates that 2D simulations are sufficient to understand integrated features of variable density flow in homogeneous sand column experiments.

  15. New 2D diffraction model and its applications to terahertz parallel-plate waveguide power splitters.

    PubMed

    Zhang, Fan; Song, Kaijun; Fan, Yong

    2017-02-09

    A two-dimensional (2D) diffraction model for the calculation of the diffraction field in 2D space and its applications to terahertz parallel-plate waveguide power splitters are proposed in this paper. Compared with the Huygens-Fresnel principle in three-dimensional (3D) space, the proposed model provides an approximate analytical expression to calculate the diffraction field in 2D space. The diffraction filed is regarded as the superposition integral in 2D space. The calculated results obtained from the proposed diffraction model agree well with the ones by software HFSS based on the element method (FEM). Based on the proposed 2D diffraction model, two parallel-plate waveguide power splitters are presented. The splitters consist of a transmitting horn antenna, reflectors, and a receiving antenna array. The reflector is cylindrical parabolic with superimposed surface relief to efficiently couple the transmitted wave into the receiving antenna array. The reflector is applied as computer-generated holograms to match the transformed field to the receiving antenna aperture field. The power splitters were optimized by a modified real-coded genetic algorithm. The computed results of the splitters agreed well with the ones obtained by software HFSS verify the novel design method for power splitter, which shows good applied prospects of the proposed 2D diffraction model.

  16. New 2D diffraction model and its applications to terahertz parallel-plate waveguide power splitters

    NASA Astrophysics Data System (ADS)

    Zhang, Fan; Song, Kaijun; Fan, Yong

    2017-02-01

    A two-dimensional (2D) diffraction model for the calculation of the diffraction field in 2D space and its applications to terahertz parallel-plate waveguide power splitters are proposed in this paper. Compared with the Huygens-Fresnel principle in three-dimensional (3D) space, the proposed model provides an approximate analytical expression to calculate the diffraction field in 2D space. The diffraction filed is regarded as the superposition integral in 2D space. The calculated results obtained from the proposed diffraction model agree well with the ones by software HFSS based on the element method (FEM). Based on the proposed 2D diffraction model, two parallel-plate waveguide power splitters are presented. The splitters consist of a transmitting horn antenna, reflectors, and a receiving antenna array. The reflector is cylindrical parabolic with superimposed surface relief to efficiently couple the transmitted wave into the receiving antenna array. The reflector is applied as computer-generated holograms to match the transformed field to the receiving antenna aperture field. The power splitters were optimized by a modified real-coded genetic algorithm. The computed results of the splitters agreed well with the ones obtained by software HFSS verify the novel design method for power splitter, which shows good applied prospects of the proposed 2D diffraction model.

  17. New 2D diffraction model and its applications to terahertz parallel-plate waveguide power splitters

    PubMed Central

    Zhang, Fan; Song, Kaijun; Fan, Yong

    2017-01-01

    A two-dimensional (2D) diffraction model for the calculation of the diffraction field in 2D space and its applications to terahertz parallel-plate waveguide power splitters are proposed in this paper. Compared with the Huygens-Fresnel principle in three-dimensional (3D) space, the proposed model provides an approximate analytical expression to calculate the diffraction field in 2D space. The diffraction filed is regarded as the superposition integral in 2D space. The calculated results obtained from the proposed diffraction model agree well with the ones by software HFSS based on the element method (FEM). Based on the proposed 2D diffraction model, two parallel-plate waveguide power splitters are presented. The splitters consist of a transmitting horn antenna, reflectors, and a receiving antenna array. The reflector is cylindrical parabolic with superimposed surface relief to efficiently couple the transmitted wave into the receiving antenna array. The reflector is applied as computer-generated holograms to match the transformed field to the receiving antenna aperture field. The power splitters were optimized by a modified real-coded genetic algorithm. The computed results of the splitters agreed well with the ones obtained by software HFSS verify the novel design method for power splitter, which shows good applied prospects of the proposed 2D diffraction model. PMID:28181514

  18. A 2D spring model for the simulation of ultrasonic wave propagation in nonlinear hysteretic media.

    PubMed

    Delsanto, P P; Gliozzi, A S; Hirsekorn, M; Nobili, M

    2006-07-01

    A two-dimensional (2D) approach to the simulation of ultrasonic wave propagation in nonclassical nonlinear (NCNL) media is presented. The approach represents the extension to 2D of a previously proposed one dimensional (1D) Spring Model, with the inclusion of a PM space treatment of the intersticial regions between grains. The extension to 2D is of great practical relevance for its potential applications in the field of quantitative nondestructive evaluation and material characterization, but it is also useful, from a theoretical point of view, to gain a better insight of the interaction mechanisms involved. The model is tested by means of virtual 2D experiments. The expected NCNL behaviors are qualitatively well reproduced.

  19. The self-trapping transition in the non-half-filled strongly correlated extended Holstein-Hubbard model in two-dimensions

    SciTech Connect

    Sankar, I. V. Chatterjee, Ashok

    2014-04-24

    The two-dimensional extended Holstein-Hubbard model (EHH) has been considered at strong correlation regime in the non-half-filled band case to understand the self-trapping transition of electrons in strongly correlated electron system. We have used the method of optimized canonical transformations to transform an EHH model into an effective extended Hubbard (EEH) model. In the strong on-site correlation limit an EH model can be transformed into a t-J model which is finally solved using Hartree-Fock approximation (HFA). We found that, for non-half-filled band case, the transition is abrupt in the adiabatic region whereas it is continuous in the anti-adiabatic region.

  20. Multi-Scale Modeling, Design Strategies and Physical Properties of 2D Composite Sheets

    DTIC Science & Technology

    2015-01-15

    of Pennsylvania. The breakthrough results obtained are 1) prediction and subsequent experimental observation of strain induced changes in electronic...structure of TMD materials 2) Prediction and experimental observation of using defects in 2D materials to enhance charge storage capacity and 3...221 Philadelphia , PA 19104 -6205 4-Mar-2014 ABSTRACT Final Report: 9.4: Multi-scale modeling, design strategies and physical properties of 2D

  1. Analysis of vegetation effect on waves using a vertical 2-D RANS model

    USDA-ARS?s Scientific Manuscript database

    A vertical two-dimensional (2-D) model has been applied in the simulation of wave propagation through vegetated water bodies. The model is based on an existing model SOLA-VOF which solves the Reynolds-Averaged Navier-Stokes (RANS) equations with the finite difference method on a staggered rectangula...

  2. Simulation of Cardiac Arrhythmias Using a 2D Heterogeneous Whole Heart Model.

    PubMed

    Balakrishnan, Minimol; Chakravarthy, V Srinivasa; Guhathakurta, Soma

    2015-01-01

    Simulation studies of cardiac arrhythmias at the whole heart level with electrocardiogram (ECG) gives an understanding of how the underlying cell and tissue level changes manifest as rhythm disturbances in the ECG. We present a 2D whole heart model (WHM2D) which can accommodate variations at the cellular level and can generate the ECG waveform. It is shown that, by varying cellular-level parameters like the gap junction conductance (GJC), excitability, action potential duration (APD) and frequency of oscillations of the auto-rhythmic cell in WHM2D a large variety of cardiac arrhythmias can be generated including sinus tachycardia, sinus bradycardia, sinus arrhythmia, sinus pause, junctional rhythm, Wolf Parkinson White syndrome and all types of AV conduction blocks. WHM2D includes key components of the electrical conduction system of the heart like the SA (Sino atrial) node cells, fast conducting intranodal pathways, slow conducting atriovenctricular (AV) node, bundle of His cells, Purkinje network, atrial, and ventricular myocardial cells. SA nodal cells, AV nodal cells, bundle of His cells, and Purkinje cells are represented by the Fitzhugh-Nagumo (FN) model which is a reduced model of the Hodgkin-Huxley neuron model. The atrial and ventricular myocardial cells are modeled by the Aliev-Panfilov (AP) two-variable model proposed for cardiac excitation. WHM2D can prove to be a valuable clinical tool for understanding cardiac arrhythmias.

  3. Simulation of Cardiac Arrhythmias Using a 2D Heterogeneous Whole Heart Model

    PubMed Central

    Balakrishnan, Minimol; Chakravarthy, V. Srinivasa; Guhathakurta, Soma

    2015-01-01

    Simulation studies of cardiac arrhythmias at the whole heart level with electrocardiogram (ECG) gives an understanding of how the underlying cell and tissue level changes manifest as rhythm disturbances in the ECG. We present a 2D whole heart model (WHM2D) which can accommodate variations at the cellular level and can generate the ECG waveform. It is shown that, by varying cellular-level parameters like the gap junction conductance (GJC), excitability, action potential duration (APD) and frequency of oscillations of the auto-rhythmic cell in WHM2D a large variety of cardiac arrhythmias can be generated including sinus tachycardia, sinus bradycardia, sinus arrhythmia, sinus pause, junctional rhythm, Wolf Parkinson White syndrome and all types of AV conduction blocks. WHM2D includes key components of the electrical conduction system of the heart like the SA (Sino atrial) node cells, fast conducting intranodal pathways, slow conducting atriovenctricular (AV) node, bundle of His cells, Purkinje network, atrial, and ventricular myocardial cells. SA nodal cells, AV nodal cells, bundle of His cells, and Purkinje cells are represented by the Fitzhugh-Nagumo (FN) model which is a reduced model of the Hodgkin-Huxley neuron model. The atrial and ventricular myocardial cells are modeled by the Aliev-Panfilov (AP) two-variable model proposed for cardiac excitation. WHM2D can prove to be a valuable clinical tool for understanding cardiac arrhythmias. PMID:26733873

  4. MODELING THE TRANSVERSE THERMAL CONDUCTIVITY OF 2D-SICF/SIC COMPOSITES

    SciTech Connect

    Youngblood, Gerald E.; Senor, David J.; Jones, Russell H.

    2002-09-01

    A hierarchical model was developed to describe the effective transverse thermal conductivity, K effective, of a 2D-SiC/SiC composite made from stacked and infiltrated woven fabric layers in terms of constituent properties and microstructural and architectural variables. The model includes the expected effects of fiber-matrix interfacial conductance as well as the effects of high fiber packing fractions within individual tows and the non-uniform nature of 2D-fabric layers that include a significant amount of interlayer porosity. Model predictions were obtained for two versions of DuPont 2D-Hi Nicalon(Trademark)/PyC/ICVI-SiC composite, one with a thin (0.110 micron) and the other with a thick (1.040 micron) PyC fiber coating. The model predicts that the matrix porosity content and porosity shape factor have a major influence on K effective(T) for such a composite.

  5. Orbital-selective Mott phases of a one-dimensional three-orbital Hubbard model studied using computational techniques

    SciTech Connect

    Liu, Guangkun; Kaushal, Nitin; Liu, Shaozhi; Bishop, Christopher B.; Wang, Yan; Johnston, Steve; Alvarez, Gonzalo; Moreo, Adriana; Dagotto, Elbio R.

    2016-06-24

    A recently introduced one-dimensional three-orbital Hubbard model displays orbital-selective Mott phases with exotic spin arrangements such as spin block states [J. Rincón et al., Phys. Rev. Lett. 112, 106405 (2014)]. In this paper we show that the constrained-path quantum Monte Carlo (CPQMC) technique can accurately reproduce the phase diagram of this multiorbital one-dimensional model, paving the way to future CPQMC studies in systems with more challenging geometries, such as ladders and planes. The success of this approach relies on using the Hartree-Fock technique to prepare the trial states needed in CPQMC. In addition, we study a simplified version of the model where the pair-hopping term is neglected and the Hund coupling is restricted to its Ising component. The corresponding phase diagrams are shown to be only mildly affected by the absence of these technically difficult-to-implement terms. This is confirmed by additional density matrix renormalization group and determinant quantum Monte Carlo calculations carried out for the same simplified model, with the latter displaying only mild fermion sign problems. Lastly, we conclude that these methods are able to capture quantitatively the rich physics of the several orbital-selective Mott phases (OSMP) displayed by this model, thus enabling computational studies of the OSMP regime in higher dimensions, beyond static or dynamic mean-field approximations.

  6. Magnetic susceptibility of alkali-tetracyanoquinodimethane salts and extended Hubbard models with bond order and charge density wave phases.

    PubMed

    Kumar, Manoranjan; Topham, Benjamin J; Yu, RuiHui; Ha, Quoc Binh Dang; Soos, Zoltán G

    2011-06-21

    The molar spin susceptibilities χ(T) of Na-tetracyanoquinodimethane (TCNQ), K-TCNQ, and Rb-TCNQ(II) are fit quantitatively to 450 K in terms of half-filled bands of three one-dimensional Hubbard models with extended interactions using exact results for finite systems. All three models have bond order wave (BOW) and charge density wave (CDW) phases with boundary V = V(c)(U) for nearest-neighbor interaction V and on-site repulsion U. At high T, all three salts have regular stacks of TCNQ(-) anion radicals. The χ(T) fits place Na and K in the CDW phase and Rb(II) in the BOW phase with V ≈ V(c). The Na and K salts have dimerized stacks at T < T(d) while Rb(II) has regular stacks at 100 K. The χ(T) analysis extends to dimerized stacks and to dimerization fluctuations in Rb(II). The three models yield consistent values of U, V, and transfer integrals t for closely related TCNQ(-) stacks. Model parameters based on χ(T) are smaller than those from optical data that in turn are considerably reduced by electronic polarization from quantum chemical calculation of U, V, and t of adjacent TCNQ(-) ions. The χ(T) analysis shows that fully relaxed states have reduced model parameters compared to optical or vibration spectra of dimerized or regular TCNQ(-) stacks.

  7. Orbital-selective Mott phases of a one-dimensional three-orbital Hubbard model studied using computational techniques.

    PubMed

    Liu, Guangkun; Kaushal, Nitin; Li, Shaozhi; Bishop, Christopher B; Wang, Yan; Johnston, Steve; Alvarez, Gonzalo; Moreo, Adriana; Dagotto, Elbio

    2016-06-01

    A recently introduced one-dimensional three-orbital Hubbard model displays orbital-selective Mott phases with exotic spin arrangements such as spin block states [J. Rincón et al., Phys. Rev. Lett. 112, 106405 (2014)PRLTAO0031-900710.1103/PhysRevLett.112.106405]. In this publication we show that the constrained-path quantum Monte Carlo (CPQMC) technique can accurately reproduce the phase diagram of this multiorbital one-dimensional model, paving the way to future CPQMC studies in systems with more challenging geometries, such as ladders and planes. The success of this approach relies on using the Hartree-Fock technique to prepare the trial states needed in CPQMC. We also study a simplified version of the model where the pair-hopping term is neglected and the Hund coupling is restricted to its Ising component. The corresponding phase diagrams are shown to be only mildly affected by the absence of these technically difficult-to-implement terms. This is confirmed by additional density matrix renormalization group and determinant quantum Monte Carlo calculations carried out for the same simplified model, with the latter displaying only mild fermion sign problems. We conclude that these methods are able to capture quantitatively the rich physics of the several orbital-selective Mott phases (OSMP) displayed by this model, thus enabling computational studies of the OSMP regime in higher dimensions, beyond static or dynamic mean-field approximations.

  8. Orbital-selective Mott phases of a one-dimensional three-orbital Hubbard model studied using computational techniques

    SciTech Connect

    Liu, Guangkun; Kaushal, Nitin; Liu, Shaozhi; Bishop, Christopher B.; Wang, Yan; Johnston, Steve; Alvarez, Gonzalo; Moreo, Adriana; Dagotto, Elbio R.

    2016-06-24

    A recently introduced one-dimensional three-orbital Hubbard model displays orbital-selective Mott phases with exotic spin arrangements such as spin block states [J. Rincón et al., Phys. Rev. Lett. 112, 106405 (2014)]. In this paper we show that the constrained-path quantum Monte Carlo (CPQMC) technique can accurately reproduce the phase diagram of this multiorbital one-dimensional model, paving the way to future CPQMC studies in systems with more challenging geometries, such as ladders and planes. The success of this approach relies on using the Hartree-Fock technique to prepare the trial states needed in CPQMC. In addition, we study a simplified version of the model where the pair-hopping term is neglected and the Hund coupling is restricted to its Ising component. The corresponding phase diagrams are shown to be only mildly affected by the absence of these technically difficult-to-implement terms. This is confirmed by additional density matrix renormalization group and determinant quantum Monte Carlo calculations carried out for the same simplified model, with the latter displaying only mild fermion sign problems. Lastly, we conclude that these methods are able to capture quantitatively the rich physics of the several orbital-selective Mott phases (OSMP) displayed by this model, thus enabling computational studies of the OSMP regime in higher dimensions, beyond static or dynamic mean-field approximations.

  9. Orbital-selective Mott phases of a one-dimensional three-orbital Hubbard model studied using computational techniques

    DOE PAGES

    Liu, Guangkun; Kaushal, Nitin; Liu, Shaozhi; ...

    2016-06-24

    A recently introduced one-dimensional three-orbital Hubbard model displays orbital-selective Mott phases with exotic spin arrangements such as spin block states [J. Rincón et al., Phys. Rev. Lett. 112, 106405 (2014)]. In this paper we show that the constrained-path quantum Monte Carlo (CPQMC) technique can accurately reproduce the phase diagram of this multiorbital one-dimensional model, paving the way to future CPQMC studies in systems with more challenging geometries, such as ladders and planes. The success of this approach relies on using the Hartree-Fock technique to prepare the trial states needed in CPQMC. In addition, we study a simplified version of themore » model where the pair-hopping term is neglected and the Hund coupling is restricted to its Ising component. The corresponding phase diagrams are shown to be only mildly affected by the absence of these technically difficult-to-implement terms. This is confirmed by additional density matrix renormalization group and determinant quantum Monte Carlo calculations carried out for the same simplified model, with the latter displaying only mild fermion sign problems. Lastly, we conclude that these methods are able to capture quantitatively the rich physics of the several orbital-selective Mott phases (OSMP) displayed by this model, thus enabling computational studies of the OSMP regime in higher dimensions, beyond static or dynamic mean-field approximations.« less

  10. Magnetic state of K0.8Fe1.6Se2 from a five-orbital Hubbard model in the Hartree-Fock approximation

    SciTech Connect

    Luo, Qinlong; Nicholson, Andrew D; Riera, J. A.; Yao, Dao-Xin; Moreo, Adriana; Dagotto, Elbio R

    2011-01-01

    Motivated by the recent discovery of Fe-based superconductors close to an antiferromagnetic insulator in the experimental phase diagram, here the five-orbital Hubbard model (without lattice distortions) is studied using the real-space Hartree-Fock approximation, employing a 10 10 Fe cluster with Fe vacancies in a5 5 pattern. Varying the Hubbard and Hund couplings, and at electronic density n = 6.0, the phase diagram contains an insulating state with the same spin pattern as observed experimentally, involving 2 2 ferromagnetic plaquettes coupled with one another antiferromagnetically. The presence of local ferromagnetic tendencies is in qualitative agreement with Lanczos results for the three-orbital model also reported here. The magnetic moment 3 B /Fe is in good agreement with experiments. Several other phases are also stabilized in the phase diagram, in agreement with recent calculations using phenomenological models.

  11. 2D numerical simulation of the MEP energy-transport model with a finite difference scheme

    SciTech Connect

    Romano, V. . E-mail: romano@dmi.unict.it

    2007-02-10

    A finite difference scheme of Scharfetter-Gummel type is used to simulate a consistent energy-transport model for electron transport in semiconductors devices, free of any fitting parameters, formulated on the basis of the maximum entropy principle. Simulations of silicon n{sup +}-n-n{sup +} diodes, 2D-MESFET and 2D-MOSFET and comparisons with the results obtained by a direct simulation of the Boltzmann transport equation and with other energy-transport models, known in the literature, show the validity of the model and the robustness of the numerical scheme.

  12. Chaos and thermalization in the one-dimensional Bose-Hubbard Model in the classical-field approximation

    NASA Astrophysics Data System (ADS)

    Cassidy, Amy C.

    One of the fundamental assertions of statistical mechanics is that the time average of a physical observable is equivalent to the average over phase space, with microcanonical measure. A system for which this is true is said to be ergodic and dynamical properties can be calculated from static phase-space averages. Dynamics of a system which is fully integrable, that is has as many conserved quantities as degrees of freedom, is constrained to a reduced phase space and thus not ergodic, although it may relax to a modified equilibrium. In this thesis, we present a comprehensive study of chaos and thermalization of the one-dimensional Bose-Hubbard Model (BHM) within the classical field approximation. This model describes the dynamics of quantum degenerate gases in a lattice for sufficient occupation of every momentum mode and weak two-body scattering, and is of interest because of experimental advances of cooling and trapping alkali atoms in the quantum degenerate regime. We study the chaos and its relation to thermalization. Two quantitative measures are compared: the ensemble-averaged Finite-time Maximal Lyapunov exponent, a measures of chaos and the normalized spectral entropy, a measure of the distance between the numerical time-averaged momentum distribution and the one predicted by thermodynamics. A threshold for chaos is found, which depends on two parameters, the nonlinearity and the total energy-per-particle. Below the threshold, the dynamics are regular, while far above the threshold, complete thermalization is observed, as measured by the normalized spectral entropy. We study individual resonances in the Bose-Hubbard model to determine the criterion for chaos. The criterion based on Chirikov's method of overlapping resonances diverges in the thermodynamic limit, in contrast to the criterion parameters inferred from numerical calculations, signifying the failure of the standard Chirikov's approach. The Ablowitz-Ladik lattice is one of several integrable

  13. A simple 2-D inundation model for incorporating flood damage in urban drainage planning

    NASA Astrophysics Data System (ADS)

    Pathirana, A.; Tsegaye, S.; Gersonius, B.; Vairavamoorthy, K.

    2011-08-01

    An urban inundation model was developed and coupled with 1-D drainage network model (EPA-SWMM5). The objective was to achieve a 1-D/2-D coupled model that is simple and fast enough to be consistently used in planning stages of urban drainage projects. The 2-D inundation model is based on a non-standard simplification of the shallow water equation, lays between diffusion-wave and full dynamic models. Simplifications were made in the process representation and numerical solving mechanisms and a depth scaled Manning coefficient was introduced to achieve stability in the cell wetting-drying process. The 2-D model is coupled with SWMM for simulation of both network flow and surcharge induced inundation. The coupling is archived by mass transfer from the network system to the 2-D system. A damage calculation block is integrated within the model code for assessing flood damage costs in optimal planning of urban drainage networks. The model is stable in dealing with complex flow conditions, and cell wetting/drying processes, as demonstrated by a number of idealised experiments. The model application is demonstrated by applying to a case study in Brazil.

  14. 2D/3D velocity model for the high resolution 2D and 3D seismic data from the CO2SINK Ketzin Project

    NASA Astrophysics Data System (ADS)

    Ivanova, A.; Asch, G.; Lueth, S.; Goetz, J.

    2009-04-01

    Seismic traveltime inversion, traveltime tomography and seismic reflection techniques have been applied for two dimensional (2D) and three dimensional (3D) data acquired in conjunction with characterization and monitoring aspects at a carbon dioxide (CO2) geological storage site at Ketzin, Germany (the CO2SINK project) (S.Yordkayhun, 2008). A seismic source comparison from the 2D pilot study regarding acquisition parameters have been tested at the side has shown the weight drop source is suitable concerning the signal penetration, frequency content of the data and minimizing time and costs for the 3D data acquisition. For the Ketzin seismic data, the ability to obtain an accurate 2D/3D interval velocity model is limited by the acquisition geometry, source-generated noise and time shifts due to the near-surface effects producing severe distortions in the data. Moreover, these time shifts are comparable to the dominant periods of the reflections and to the size of structures to be imaged. Therefore, a combination of seismic refraction and state-of-the-art processing techniques, including careful static corrections and more accurate velocity analysis, has resulted in key improvements of the images and has allowed new information about the 2D/3D interval velocities. The results from these studies together with borehole information, hydrogeologic models and seismic modeling will be combined into an integrated 2D/3D velocity model. After that a careful 2D/3D depth migration is to be provided. It can be used as a database for the future monitoring program at the site.

  15. 2-D magnetotelluric modeling using finite element method incorporating unstructured quadrilateral elements

    NASA Astrophysics Data System (ADS)

    Sarakorn, Weerachai

    2017-04-01

    In this research, the finite element (FE) method incorporating quadrilateral elements for solving 2-D MT modeling was presented. The finite element software was developed, employing a paving algorithm to generate the unstructured quadrilateral mesh. The accuracy, efficiency, reliability, and flexibility of our FE forward modeling are presented, compared and discussed. The numerical results indicate that our FE codes using an unstructured quadrilateral mesh provide good accuracy when the local mesh refinement is applied around sites and in the area of interest, with superior results when compared to other FE methods. The reliability of the developed codes was also confirmed when comparing both analytical solutions and COMMEMI2D model. Furthermore, our developed FE codes incorporating an unstructured quadrilateral mesh showed useful and powerful features such as handling irregular and complex subregions and providing local refinement of the mesh for a 2-D domain as closely as unstructured triangular mesh but it requires less number of elements in a mesh.

  16. On Limits of Embedding in 3D Images Based on 2D Watson's Model

    NASA Astrophysics Data System (ADS)

    Kavehvash, Zahra; Ghaemmaghami, Shahrokh

    We extend the Watson image quality metric to 3D images through the concept of integral imaging. In the Watson's model, perceptual thresholds for changes to the DCT coefficients of a 2D image are given for information hiding. These thresholds are estimated in a way that the resulting distortion in the 2D image remains undetectable by the human eyes. In this paper, the same perceptual thresholds are estimated for a 3D scene in the integral imaging method. These thresholds are obtained based on the Watson's model using the relation between 2D elemental images and resulting 3D image. The proposed model is evaluated through subjective tests in a typical image steganography scheme.

  17. Modeling Tear Film Dynamics on a 2-D Eye-shaped Domain

    NASA Astrophysics Data System (ADS)

    Li, Longfei; Braun, Richard; Maki, Kara; Henshaw, William

    2012-11-01

    We study tear film dynamics on a 2-D eye-shaped domain using a lubrication model. Time dependent flux boundary conditions that model the lacrimal gland tear supply and punctal drainage are imposed. We solved the model equations with Overture computational framework. Results reveals our model captures the hydraulic connectivity and other key physics of human tear film observed in vivo. Comparisons are made with existing models and experiments. Should time permit, osmolarity dynamics (salt ion concentration) will be included.

  18. Introducing the R2D2 Model: Online Learning for the Diverse Learners of This World

    ERIC Educational Resources Information Center

    Bonk, Curtis J.; Zhang, Ke

    2006-01-01

    The R2D2 method--read, reflect, display, and do--is a new model for designing and delivering distance education, and in particular, online learning. Such a model is especially important to address the diverse preferences of online learners of varied generations and varied Internet familiarity. Four quadrants can be utilized separately or as part…

  19. Evaluation of 2D shallow-water model for spillway flow with a complex geometry

    USDA-ARS?s Scientific Manuscript database

    Although the two-dimensional (2D) shallow water model is formulated based on several assumptions such as hydrostatic pressure distribution and vertical velocity is negligible, as a simple alternative to the complex 3D model, it has been used to compute water flows in which these assumptions may be ...

  20. On the phase diagram of the extended Hubbard model with intersite density-density interactions in the atomic limit

    NASA Astrophysics Data System (ADS)

    Kapcia, Konrad Jerzy; Robaszkiewicz, Stanisław

    2016-11-01

    The charge ordering is a phenomenon associated with inhomogeneous distribution of electron density occurring mostly in strongly correlated materials such as transition metal oxides or organic conductors. The extended Hubbard model (EHM) is one of the simplest model for description of this phenomenon. The full phase diagram of the EHM with intersite density-density interactions W1 and W2 (nearest- and next-nearest-neighbour, respectively) in the atomic limit as a function of the chemical potential has been derived in the variational approach, which treats the on-site interaction exactly and the intersite interactions within mean-field approximation. The results for arbitrary values of model parameters (in the two-sublattice assumption) reveal that the diagram has very complex structure including various (multi-)critical points. A variety of the transitions between different phases, in particular with long-range charge-order, has been found to occur on the diagram. The results presented are rigorous ones in the high-dimension limit for any W1 and W2 ≤ 0.

  1. Image segmentation and classification based on a 2D distributed hidden Markov model

    NASA Astrophysics Data System (ADS)

    Ma, Xiang; Schonfeld, Dan; Khokhar, Ashfaq

    2008-01-01

    In this paper, we propose a two-dimensional distributed hidden Markovmodel (2D-DHMM), where dependency of the state transition probability on any state is allowed as long as causality is preserved. The proposed 2D-DHMM model is result of a novel solution to a more general non-causal two-dimensional hidden Markovmodel (2D-HMM) that we proposed. Our proposed models can capture, for example, dependency among diagonal states, which can be critical in many image processing applications, for example, image segmentation. A new sets of basic image patterns are designed to enrich the variability of states, which in return largely improves the accuracy of state estimations and segmentation performance. We provide three algorithms for the training and classification of our proposed model. A new Expectation-Maximization (EM) algorithm suitable for estimation of the new model is derived, where a novel General Forward-Backward (GFB) algorithm is proposed for recursive estimation of the model parameters. A new conditional independent subset-state sequence structure decomposition of state sequences is proposed for the 2D Viterbi algorithm. Application to aerial image segmentation shows the superiority of our model compared to the existing models.

  2. Non-trivial θ-vacuum effects in the 2-d O(3) model

    NASA Astrophysics Data System (ADS)

    Bögli, M.; Niedermayer, F.; Pepe, M.; Wiese, U.-J.

    2012-04-01

    We study θ-vacua in the 2-d lattice O(3) model using the standard action and an optimized constraint action with very small cut-off effects, combined with the geometric topological charge. Remarkably, dislocation lattice artifacts do not spoil the non-trivial continuum limit at θ ne 0 , and there are different continuum theories for each value 0 ≤ θ ≤ π. A very precise Monte Carlo study of the step scaling function indirectly confirms the exact S-matrix of the 2-d O(3) model at θ = π.

  3. Towards more realistic 2D & 3D numerical models of Earth's mantle

    NASA Astrophysics Data System (ADS)

    Ghias, Sanaz

    2011-12-01

    There are a number of simplifying assumptions in modeling Earth's deep interior. These are mostly simplifying assumptions that make the mathematics simpler either for less complicated modeling or for numerical efficiency purposes. The aim of this study is to investigate the effects of some of these simplifying assumptions on 2D and 3D mantle convection models. In particular, the cases with variable coefficients of thermal expansion, alpha, and the inclusion of mineral phase transitions and viscosity stratification have been studied. The coefficient of thermal expansion is temperature- and depth-dependent in Earth. But for simplicity, it has been considered as constant in most mantle convection models and only depth-dependent in others. 2D mantle convection models (2D Cartesian and 2D cylindrical) have been created based on an existing model from Jarvis [1992] to investigate the effects of temperature- and depth-dependent alpha on mantle convection compared with the simplified cases. Also an existing version of a 3D parallel mantle convection model, MC3D, from Lowman et al. [2001] have been modified to include the temperature- and depth-dependent alpha. In the 3D study it has also been investigated that how the effects of temperature- and depth-dependent alpha vary with or without lithospheric plates. There are at least two mineral phase transitions in Earth. There is an exothermic phase boundary at 410km below the surface and an endothermic phase boundary at 660km below the surface. For simplicity, most mantle convection models do not consider any of the phase boundaries. Some consider only the endothermic phase boundary. A 2D cylindrical model from Shahnas and Jarvas [2005] has been employed to investigate the effects of considering both phase boundaries compared to models with either no, or one, phase boundary. Different viscosity stratifications have been used in addition to the phase boundaries.

  4. Variational study of the stability of the Nagaoka state against single-spin flips in the two-dimensional t-t' Hubbard model

    NASA Astrophysics Data System (ADS)

    Bajdich, M.; Hlubina, R.

    2001-06-01

    Making use of variational wave functions of the Basile-Elser type we study the stability of the Nagaoka state against single-spin flips in the two-dimensional t-t' Hubbard model for t'/t~0.5. In the low-density limit the variational estimate of the stability region of the Nagaoka state is in qualitative agreement with the predictions of the T-matrix approximation.

  5. Itinerant ferromagnetism, phase separation and first-order paramagnetic metal to antiferromagnetic insulator transitions—novel insights to the frustrated Hubbard model

    NASA Astrophysics Data System (ADS)

    Zitzler, R.; Pruschke, Th.; Bulla, R.

    2004-05-01

    We discuss the magnetic phase diagram for the Hubbard model with magnetic frustration obtained within the dynamical mean-field theory. Most interesting is the appearance of a first-order paramagnetic metal to antiferromagnetic insulator transition for the magnetically frustrated lattice at half filling. For finite doping the antiferromagnetic phase is susceptible to phase separation and competes with an itinerant ferromagnetic phase (Nagaoka ferromagnetism), leading to an unexpectedly rich magnetic phase diagram.

  6. Magnetic Fluctuations in a Charge-Ordered State of the One-Dimensional Extended Hubbard Model with a Half-Filled Band

    NASA Astrophysics Data System (ADS)

    Yoshioka, Hideo

    2002-08-01

    Magnetic properties in a charge-ordered state are examined for the extended Hubbard model at half-filling. Magnetic excitations, magnetic susceptibilities and a nuclear spin relaxation rate are calculated with taking account of fluctuations around the mean-field solution. The relevance of the present results to the observation in the 1:1 organic conductors, (TTM-TTP)I3, is discussed.

  7. 2D photochemical model for forbidden oxygen line emission for comet 1P/Halley

    NASA Astrophysics Data System (ADS)

    Cessateur, G.; De Keyser, J.; Maggiolo, R.; Rubin, M.; Gronoff, G.; Gibbons, A.; Jehin, E.; Dhooghe, F.; Gunell, H.; Vaeck, N.; Loreau, J.

    2016-11-01

    We present here a 2D model of photochemistry for computing the production and loss mechanisms of the O(1S) and O(1D) states, which are responsible for the emission lines at 577.7, 630, and 636.4 nm, in case of the comet 1P/Halley. The presence of O2 within cometary atmospheres, measured by the in situ Rosetta and Giotto missions, necessitates a revision of the usual photochemical models. Indeed, the photodissociation of molecular oxygen also leads to a significant production of oxygen in excited electronic states. In order to correctly model the solar ultraviolet (UV) flux absorption, we consider here a 2D configuration. While the green to red-doublet ratio is not affected by the solar UV flux absorption, estimates of the red-doublet and green lines emissions are, however, overestimated by a factor of 2 in the 1D model compared to the 2D model. Considering a spherical symmetry, emission maps can be deduced from the 2D model in order to be directly compared to ground and/or in situ observations.

  8. Nonlinear transport in an out-of-equilibrium single-site Bose-Hubbard model: Scaling, rectification, and time dynamics

    NASA Astrophysics Data System (ADS)

    Purkayastha, Archak; Dhar, Abhishek; Kulkarni, Manas

    2016-11-01

    Recent experiments in hybrid-quantum systems facilitate the potential realization of one of the most fundamental interacting Hamiltonian-reservoir systems, namely the single-site Bose-Hubbard model coupled to two reservoirs at different temperatures. Using Redfield equations in a Born-Markov approximation, we compute nonequilibrium average particle number, energy, and currents beyond linear response regime, both time dynamics and steady state, and investigate its dependence on various tunable parameters analytically. We find interesting scaling laws in high-temperature regimes that are independent of choice of bath spectral functions. We also demonstrate that the system shows very interesting particle and energy current rectification properties which can be controlled via the relative strength of interaction and temperatures, as well as via the degree of asymmetry in system-bath coupling. Specifically, we find inversion of direction of energy rectification as a function of the relative strength of the interaction strength and the temperatures. We also show that, in the limit of low-temperature and high interaction strength, our results are consistent with the nonequilibrium spin-Boson model. Our results are experimentally relevant not only to hybrid quantum systems but also in other areas such as molecular junctions.

  9. Hidden-fermion representation of self-energy in pseudogap and superconducting states of the two-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Sakai, Shiro; Civelli, Marcello; Imada, Masatoshi

    2016-09-01

    We study the frequency-dependent structure of electronic self-energy in the pseudogap and superconducting states of the two-dimensional Hubbard model. We present the self-energy calculated with the cellular dynamical mean-field theory systematically in the space of temperature, electron density, and interaction strength. We show that the low-frequency part of the self-energy is well represented by a simple equation, which describes the transitions of an electron to and from a hidden-fermionic state. By fitting the numerical data with this simple equation, we determine the parameters characterizing the hidden fermion and discuss its identity. The simple expression of the self-energy offers a way to organize numerical data of these uncomprehended superconducting and pseudogap states, as well as a useful tool to analyze spectroscopic experimental results. The successful description by the simple two-component fermion model supports the idea of "dark" and "bright" fermions emerging from a bare electron as bistable excitations in doped Mott insulators.

  10. Ground-state properties of the one-dimensional attractive Hubbard model with confinement: A comparative study

    NASA Astrophysics Data System (ADS)

    Hu, Ji-Hong; Wang, Jing-Jing; Xianlong, Gao; Okumura, Masahiko; Igarashi, Ryo; Yamada, Susumu; Machida, Masahiko

    2010-07-01

    We revisit the one-dimensional attractive Hubbard model by using the Bethe-ansatz-based density-functional theory and density-matrix renormalization method. The ground-state properties of this model are discussed in details for different fillings and different confining conditions in weak-to-intermediate coupling regime. We investigate the ground-state energy, energy gap, and pair-binding energy and compare them with those calculated from the canonical Bardeen-Cooper-Schrieffer approximation. We find that the Bethe-ansatz-based density-functional theory is computationally easy and yields an accurate description of the ground-state properties for weak-to-intermediate interaction strength, different fillings, and confinements. In order to characterize the quantum phase transition in the presence of a harmonic confinement, we calculate the thermodynamic stiffness, the density-functional fidelity, and fidelity susceptibility, respectively. It is shown that with the increase in the number of particles or attractive interaction strength, the system can be driven from the Luther-Emery-type phase to the composite phase of Luther-Emery-type in the wings and insulatinglike in the center.

  11. Doping-driven orbital-selective Mott transition in multi-band Hubbard models with crystal field splitting

    NASA Astrophysics Data System (ADS)

    Yilin, Wang; Li, Huang; Liang, Du; Xi, Dai

    2016-03-01

    We have studied the doping-driven orbital-selective Mott transition in multi-band Hubbard models with equal band width in the presence of crystal field splitting. Crystal field splitting lifts one of the bands while leaving the others degenerate. We use single-site dynamical mean-field theory combined with continuous time quantum Monte Carlo impurity solver to calculate a phase diagram as a function of total electron filling N and crystal field splitting Δ. We find a large region of orbital-selective Mott phase in the phase diagram when the doping is large enough. Further analysis indicates that the large region of orbital-selective Mott phase is driven and stabilized by doping. Such models may account for the orbital-selective Mott transition in some doped realistic strongly correlated materials. Project supported by the National Natural Science Foundation of China (Grant No. 2011CBA00108) and the National Basic Research Program of China (Grant No. 2013CB921700).

  12. The simulation of 3D mass models in 2D digital mammography and breast tomosynthesis

    SciTech Connect

    Shaheen, Eman De Keyzer, Frederik; Bosmans, Hilde; Ongeval, Chantal Van; Dance, David R.; Young, Kenneth C.

    2014-08-15

    Purpose: This work proposes a new method of building 3D breast mass models with different morphological shapes and describes the validation of the realism of their appearance after simulation into 2D digital mammograms and breast tomosynthesis images. Methods: Twenty-five contrast enhanced MRI breast lesions were collected and each mass was manually segmented in the three orthogonal views: sagittal, coronal, and transversal. The segmented models were combined, resampled to have isotropic voxel sizes, triangularly meshed, and scaled to different sizes. These masses were referred to as nonspiculated masses and were then used as nuclei onto which spicules were grown with an iterative branching algorithm forming a total of 30 spiculated masses. These 55 mass models were projected into 2D projection images to obtain mammograms after image processing and into tomographic sequences of projection images, which were then reconstructed to form 3D tomosynthesis datasets. The realism of the appearance of these mass models was assessed by five radiologists via receiver operating characteristic (ROC) analysis when compared to 54 real masses. All lesions were also given a breast imaging reporting and data system (BIRADS) score. The data sets of 2D mammography and tomosynthesis were read separately. The Kendall's coefficient of concordance was used for the interrater observer agreement assessment for the BIRADS scores per modality. Further paired analysis, using the Wilcoxon signed rank test, of the BIRADS assessment between 2D and tomosynthesis was separately performed for the real masses and for the simulated masses. Results: The area under the ROC curves, averaged over all observers, was 0.54 (95% confidence interval [0.50, 0.66]) for the 2D study, and 0.67 (95% confidence interval [0.55, 0.79]) for the tomosynthesis study. According to the BIRADS scores, the nonspiculated and the spiculated masses varied in their degrees of malignancy from normal (BIRADS 1) to highly

  13. The simulation of 3D mass models in 2D digital mammography and breast tomosynthesis.

    PubMed

    Shaheen, Eman; De Keyzer, Frederik; Bosmans, Hilde; Dance, David R; Young, Kenneth C; Van Ongeval, Chantal

    2014-08-01

    This work proposes a new method of building 3D breast mass models with different morphological shapes and describes the validation of the realism of their appearance after simulation into 2D digital mammograms and breast tomosynthesis images. Twenty-five contrast enhanced MRI breast lesions were collected and each mass was manually segmented in the three orthogonal views: sagittal, coronal, and transversal. The segmented models were combined, resampled to have isotropic voxel sizes, triangularly meshed, and scaled to different sizes. These masses were referred to as nonspiculated masses and were then used as nuclei onto which spicules were grown with an iterative branching algorithm forming a total of 30 spiculated masses. These 55 mass models were projected into 2D projection images to obtain mammograms after image processing and into tomographic sequences of projection images, which were then reconstructed to form 3D tomosynthesis datasets. The realism of the appearance of these mass models was assessed by five radiologists via receiver operating characteristic (ROC) analysis when compared to 54 real masses. All lesions were also given a breast imaging reporting and data system (BIRADS) score. The data sets of 2D mammography and tomosynthesis were read separately. The Kendall's coefficient of concordance was used for the interrater observer agreement assessment for the BIRADS scores per modality. Further paired analysis, using the Wilcoxon signed rank test, of the BIRADS assessment between 2D and tomosynthesis was separately performed for the real masses and for the simulated masses. The area under the ROC curves, averaged over all observers, was 0.54 (95% confidence interval [0.50, 0.66]) for the 2D study, and 0.67 (95% confidence interval [0.55, 0.79]) for the tomosynthesis study. According to the BIRADS scores, the nonspiculated and the spiculated masses varied in their degrees of malignancy from normal (BIRADS 1) to highly suggestive for malignancy (BIRADS 5

  14. Impact of high speed civil transports on stratospheric ozone: A 2-D model investigation

    SciTech Connect

    Kinnison, D.E.; Connell, P.S.

    1996-12-01

    This study investigates the effect on stratospheric ozone from a fleet of proposed High Speed Civil Transports (HSCTs). The new LLNL 2-D operator-split chemical-radiative-transport model of the troposphere and stratosphere is used for this HSCT investigation. This model is integrated in a diurnal manner, using an implicit numerical solver. Therefore, rate coefficients are not modified by any sort of diurnal average factor. This model also does not make any assumptions on lumping of chemical species into families. Comparisons to previous model-derived HSCT assessment of ozone change are made, both to the previous LLNL 2-D model and to other models from the international assessment modeling community. The sensitivity to the NO{sub x} emission index and sulfate surface area density is also explored.

  15. 2D TEM Modeling and Inversion by Adaptive Born Forward Mapping

    NASA Astrophysics Data System (ADS)

    Lee, T.; Seo, M.; Cho, I. K.; Ko, K. B.; You, Y. J.

    2014-12-01

    In the airborne electromagnetic survey, vast data are acquired with the development of precise measuring equipment and the automation of data acquisition. In this study we developed fast and accurate two-dimensional (2D) modeling and inversion algorithm based on the adaptive born forward mapping (ABFM) method, which is recently emerging for fast time-domain electromagnetic (TEM) modeling. The ABFM method is an approximation method that takes into consideration the true electrical conductivity distribution of subsurface media and is different from the conventional Born approximation that uses the constant electric conductivity. One of the most important points of the ABFM method is how to set a suitable sensitivity function. In this study, the known 1D sensitivity function was expanded into 2D sensitivity function to effectively approximate the dispersive behavior of electromagnetic field. By comparing the analytic solution and approximate ABFM solution for layered earth models, we found that the two solutions correspond to each other well. This implies that the 2D sensitivity function suggested in this study is suitable and that the ABFM method has very excellent accuracy in 2D TEM modeling even though it is an approximation method. Furthermore, a 2D inversion algorithm was developed with respect to the apparent conductivity data of TEM based on ABFM. To enhance the resolution and stability, the smoothness-constrained least-squares method with ACB constraint was employed. The inversion of calculated data for various models produced a reasonable model close to the true model. It is expected that the method will be extensively applicable to TEM modeling and inversion without difficulty in the future.

  16. Dynamical properties of the one-dimensional spin-1/2 Bose-Hubbard model near a Mott-insulator to ferromagnetic-liquid transition.

    PubMed

    Zvonarev, M B; Cheianov, V V; Giamarchi, T

    2009-09-11

    We investigate the dynamics of the one-dimensional strongly repulsive spin-1/2 Bose-Hubbard model for filling nu Hubbard-Mott insulator exhibiting dynamical properties of the Heisenberg ferromagnet, at nu<1 it is a ferromagnetic liquid with complex spin dynamics. We find that close to the insulator-liquid transition the system admits for a complete separation of spin and density degrees of freedom valid at all energy and momentum scales within the t-J approximation. This allows us to derive the propagator of transverse spin waves and the shape of the magnon peak in the dynamic spin structure factor.

  17. Extension and application of the Preissmann slot model to 2D transient mixed flows

    NASA Astrophysics Data System (ADS)

    Maranzoni, Andrea; Dazzi, Susanna; Aureli, Francesca; Mignosa, Paolo

    2015-08-01

    This paper presents an extension of the Preissmann slot concept for the modeling of highly transient two-dimensional (2D) mixed flows. The classic conservative formulation of the 2D shallow water equations for free surface flows is adapted by assuming that two fictitious vertical slots, aligned along the two Cartesian plane directions and normally intersecting, are added on the ceiling of each integration element. Accordingly, transitions between free surface and pressurized flow can be handled in a natural and straightforward way by using the same set of governing equations. The opportunity of coupling free surface and pressurized flows is actually useful not only in one-dimensional (1D) problems concerning sewer systems but also for modeling 2D flooding phenomena in which the pressurization of bridges, culverts, or other crossing hydraulic structures can be expected. Numerical simulations are performed by using a shock-capturing MUSCL-Hancock finite volume scheme combined with the FORCE (First-Order Centred) solver for the evaluation of the numerical fluxes. The validation of the mathematical model is accomplished on the basis of both exact solutions of 1D discontinuous initial value problems and reference radial solutions of idealized test cases with cylindrical symmetry. Furthermore, the capability of the model to deal with practical field-scale applications is assessed by simulating the transit of a bore under an arch bridge. Numerical results show that the proposed model is suitable for the prediction of highly transient 2D mixed flows.

  18. Application of the Hubbard model to Cp*(2)Yb(bipy), a model system for strong exchange coupling in lanthanide systems.

    PubMed

    Lukens, Wayne W; Magnani, Nicola; Booth, Corwin H

    2012-10-01

    Exchange coupling is quantified in lanthanide (Ln) single-molecule magnets (SMMs) containing a bridging N(2)(3-) radical ligand and between [Cp*(2)Yb](+) and bipy(•-) in Cp*(2)Yb(bipy), where Cp* is pentamethylcyclopentadienyl and bipy is 2,2'-bipyridyl. In the case of these lanthanide SMMs, the magnitude of exchange coupling between the Ln ion and the bridging N(2)(3-), 2J, is very similar to the barrier to magnetic relaxation, U(eff). A molecular version of the Hubbard model is applied to systems in which unpaired electrons on magnetic metal ions have direct overlap with unpaired electrons residing on ligands. The Hubbard model explicitly addresses electron correlation, which is essential for understanding the magnetic behavior of these complexes. This model is applied quantitatively to Cp*(2)Yb(bipy) to explain its very strong exchange coupling, 2J = -0.11 eV (-920 cm(-1)). The model is also used to explain the presence of strong exchange coupling in Ln SMMs in which the lanthanide spins are coupled via bridging N(2)(3-) radical ligands. The results suggest that increasing the magnetic coupling in lanthanide clusters could lead to an increase in the blocking temperatures of exchange-coupled lanthanide SMMs, suggesting routes to rational design of future lanthanide SMMs.

  19. Magnetic phase diagram of a five-orbital Hubbard model in the real-space Hartree-Fock approximation varying the electronic density

    NASA Astrophysics Data System (ADS)

    Luo, Qinlong; Dagotto, Elbio

    2014-01-01

    Using the real-space Hartree-Fock approximation, the magnetic phase diagram of a five-orbital Hubbard model for the iron-based superconductors is studied varying the electronic density n in the range from five to seven electrons per transition metal atom. The Hubbard interaction U is also varied, at a fixed Hund coupling J /U=0.25. Several qualitative trends and a variety of competing magnetic states are observed. At n =5, a robust G-type antiferromagnetic insulator is found, in agreement with experimental results for BaMn2As2. As n increases away from 5, magnetic states with an increasing number of nearest-neighbors ferromagnetic links become energetically stable. This includes the well-known C-type antiferromagnetic state at n =6, the E-phase known to exist in FeTe, and also a variety of novel states not found yet experimentally, some of them involving blocks of ferromagnetically oriented spins. Regions of phase separation, as in Mn oxides, have also been detected. Comparison to previous theoretical investigations indicate that these qualitative trends may be generic characteristics of phase diagrams of multi-orbital Hubbard models.

  20. Nonlinear Modeling of E-Type Ferrite Inductors Using Finite Element Analysis in 2D.

    PubMed

    Salas, Rosa Ana; Pleite, Jorge

    2014-07-25

    We present here a modeling procedure for inductors with an E-shaped ferrite core valid for calculating the inductance of an equivalent circuit from the linear operating region to the saturation region. The procedure was developed using Finite Elements in 2D. We demonstrate that using a 2D section of the real core the results obtained are similar to the real ones, which solves the problem of convergence that appeared when E type cores were simulated in 3D, while also saving computational cost. We also discuss the effect of the gap-thickness on the magnetic properties. The data obtained by simulation are compared with experimental results.